SDF/Mol File of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole (C19H15N3O2S)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole Molecule

• Chemical structure of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole is available in chemical structure page of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• 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 masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole

  The chemical formula of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole is given 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.

• InChI (IUPAC International Chemical Identifier) information of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole is:

  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

  It can provide a standard way to encode the molecular information of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole is:

  InChIKey=GNIMWEIFHYKODN-GOSISDBHSA-N

  The InChIKey may allow easier web searches for (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole, but it needs to be linked to the full InChI to get back to the original structure of the (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole since the full standard InChI cannot be reconstructed from the InChIKey.

• 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 named differently depending on the various situations of industrial applications. Other names (synonyms) of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole including the registry numbers are listed below, if available:

  
  
  None available.

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(5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole Identification Summary Frequently Asked Questions (FAQs)

What’s the (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole formula?
C19H15N3O2S
How many atoms and what elements are included in 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 in 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 molar mass?
349.4063 g/mol
What’s the SMILES structure 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 code 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 format of (5R)-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole?
GNIMWEIFHYKODN-GOSISDBHSA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).