1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide

C22H18ClN3OS — CID 7414159

IUPAC1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2cccs2)nn1-c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H18ClN3OS/c1-15(16-6-3-2-4-7-16)24-22(27)20-14-19(21-8-5-13-28-21)25-26(20)18-11-9-17(23)10-12-18/h2-15H,1H3,(H,24,27)/t15-/m0/s1
InChIKeyYXVCJUBYGPBCGA-HNNXBMFYSA-N
MW407.93 g/mol
LogP5.75
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide

1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 7414159) has the molecular formula C22H18ClN3OS and a molecular weight of 407.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID7414159
Molecular FormulaC22H18ClN3OS
Molecular Weight407.93 g/mol
Exact Mass407.09
IUPAC Name1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2cccs2)nn1-c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H18ClN3OS/c1-15(16-6-3-2-4-7-16)24-22(27)20-14-19(21-8-5-13-28-21)25-26(20)18-11-9-17(23)10-12-18/h2-15H,1H3,(H,24,27)/t15-/m0/s1
InChIKeyYXVCJUBYGPBCGA-HNNXBMFYSA-N
XLogP5.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.93
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267659
1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267654
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 40551893
1-(4-chlorophenyl)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7495251
1-(4-chlorophenyl)-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3468466
1-(4-chlorophenyl)-N-ethoxy-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42761829
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42761828
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7249590
1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
CID 40551886
1-(4-methylphenyl)-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812787
[1-(4-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 42761815
N-(2,2-diethoxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4787832

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide (CID 7414159) is 1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide is C[C@H](NC(=O)c1cc(-c2cccs2)nn1-c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is YXVCJUBYGPBCGA-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H18ClN3OS/c1-15(16-6-3-2-4-7-16)24-22(27)20-14-19(21-8-5-13-28-21)25-26(20)18-11-9-17(23)10-12-18/h2-15H,1H3,(H,24,27)/t15-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 407.93 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 7414159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).