Structure & Deep Data of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole (C19H15N3O2S)
Identification of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole Chemical Compound
Chemical Formula | C19H15N3O2S |
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Molecular Weight | 349.4063 g/mol |
IUPAC Name | (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole |
SMILES String | [O-][N+](=O)c1ccc(cc1)N2N=C(CC2c3ccccc3)c4cccs4 |
InChI | InChI=1S/C19H15N3O2S/c23-22(24)16-10-8-15(9-11-16)21-18(14-5-2-1-3-6-14)13-17(20-21)19-7-4-12-25-19/h1-12,18H,13H2/t18-/m1/s1 |
InChIKey | GNIMWEIFHYKODN-GOSISDBHSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole molecule contains a total of 43 bond(s). There are 28 non-H bond(s), 20 multiple bond(s), 4 rotatable bond(s), 3 double bond(s), 17 aromatic bond(s), 2 five-membered ring(s), 2 six-membered ring(s), 1 nitro group(s) (aromatic), 1 hydrazone(s), and 1 Thiophene(s). Images of the chemical structure of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole are given below:
The 2D chemical structure image of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole is provided here.
The (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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Additional Information for Identifying (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
The SMILES string of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole is [O-][N+](=O)c1ccc(cc1)N2N=C(CC2c3ccccc3)c4cccs4, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole.
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Structure Data File (SDF/MOL File) of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
The structure data file (SDF/MOL File) of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole is available for download in the SDF page of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole, which provides the information about the atoms, bonds, connectivity and coordinates of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole. The (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
The molecular formula of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole is available in chemical formula page of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
The molecular weight of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole is available in molecular weight page of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
The (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole including the various registry numbers, if available:
None available.
(5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole? |
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C19H15N3O2S |
How many atoms and what are the elements included the (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole molecule? |
40 atom(s) - 15 Hydrogen atom(s), 19 Carbon atom(s), 3 Nitrogen atom(s), 2 Oxygen atom(s), and 1 Sulfur atom(s) |
How many chemical bonds and what kind of bonds are included the (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole structure? |
43 bond(s) - 28 non-H bond(s), 20 multiple bond(s), 4 rotatable bond(s), 3 double bond(s), 17 aromatic bond(s), 2 five-membered ring(s), 2 six-membered ring(s), 1 nitro group(s) (aromatic), 1 hydrazone(s), and 1 Thiophene(s) |
What’s the (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole’s molecular weight? |
349.4063 g/mol |
What’s the SMILES code of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole? |
[O-][N+](=O)c1ccc(cc1)N2N=C(CC2c3ccccc3)c4cccs4 |
What’s the InChI string of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole? |
InChI=1S/C19H15N3O2S/c23-22(24)16-10-8-15(9-11-16)21-18(14-5-2-1-3-6-14)13-17(20-21)19-7-4-12-25-19/h1-12,18H,13H2/t18-/m1/s1 |
What’s the InChIKey code of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole? |
GNIMWEIFHYKODN-GOSISDBHSA-N |
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technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).