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Structure & Deep Data of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine (C20H27FN4O2)

Identification of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine Chemical Compound

2D chemical structure image of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine
Chemical Formula C20H27FN4O2
Molecular Weight 374.452383 g/mol
IUPAC Name 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine
SMILES String COCCN1C(C)CN(CC1C)C(=O)c3cc(c2ccc(F)cc2)n(C)n3
InChI InChI=1S/C20H27FN4O2/c1-14-12-24(13-15(2)25(14)9-10-27-4)20(26)18-11-19(23(3)22-18)16-5-7-17(21)8-6-16/h5-8,11,14-15H,9-10,12-13H2,1-4H3
InChIKey WSFVOGWTPNFFOO-UHFFFAOYSA-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 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine molecule contains a total of 56 bond(s). There are 29 non-H bond(s), 12 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 tertiary amide(s) (aromatic), 1 tertiary amine(s) (aliphatic), 1 ether(s) (aliphatic), and 1 Pyrazole(s). Images of the chemical structure of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine are given below:

2D chemical structure image of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine
2-dimensional (2D) chemical structure image of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine
3D chemical structure image of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine
3-dimensional (3D) chemical structure image of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine

The 2D chemical structure image of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine 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 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine 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 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine. Download structure data file (SDF/MOL) file of this compound.


Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine is provided here.

The 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine 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 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine 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 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine 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 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine Molecule

  • Other names (synonyms) or registry numbers of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine

    The 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine including the various registry numbers, if available:



    None available.


4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine?
C20H27FN4O2
How many atoms and what are the elements included the 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine molecule?
54 atom(s) - 27 Hydrogen atom(s), 20 Carbon atom(s), 4 Nitrogen atom(s), 2 Oxygen atom(s), and 1 Fluorine atom(s)
How many chemical bonds and what kind of bonds are included the 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine structure?
56 bond(s) - 29 non-H bond(s), 12 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 tertiary amide(s) (aromatic), 1 tertiary amine(s) (aliphatic), 1 ether(s) (aliphatic), and 1 Pyrazole(s)
What’s the 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine’s molecular weight?
374.452383 g/mol
What’s the SMILES code of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine?
COCCN1C(C)CN(CC1C)C(=O)c3cc(c2ccc(F)cc2)n(C)n3
What’s the InChI string of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine?
InChI=1S/C20H27FN4O2/c1-14-12-24(13-15(2)25(14)9-10-27-4)20(26)18-11-19(23(3)22-18)16-5-7-17(21)8-6-16/h5-8,11,14-15H,9-10,12-13H2,1-4H3
What’s the InChIKey code of 4-{[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}-1-(2-methoxyethyl)-2,6-dimethylpiperazine?
WSFVOGWTPNFFOO-UHFFFAOYSA-N

40 The contents of this page can freely be shared if cited as follows:
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).

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