1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide

C24H23N3OS — CID 7249590

IUPAC1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C24H23N3OS/c1-18(14-15-19-9-4-2-5-10-19)25-24(28)22-17-21(23-13-8-16-29-23)26-27(22)20-11-6-3-7-12-20/h2-13,16-18H,14-15H2,1H3,(H,25,28)/t18-/m0/s1
InChIKeyCKLNNESDTBNVMD-SFHVURJKSA-N
MW401.54 g/mol
LogP5.35
Rot. Bonds7

About 1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide

1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 7249590) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is 1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID7249590
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC Name1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C24H23N3OS/c1-18(14-15-19-9-4-2-5-10-19)25-24(28)22-17-21(23-13-8-16-29-23)26-27(22)20-11-6-3-7-12-20/h2-13,16-18H,14-15H2,1H3,(H,25,28)/t18-/m0/s1
InChIKeyCKLNNESDTBNVMD-SFHVURJKSA-N
XLogP5.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 40551893
3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 4654374
[2-oxo-2-(pentan-2-ylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 16503750
1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267654
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267659
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 8560814
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 4262770
N-(2,2-diethoxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4787832
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7414159
[2-oxo-2-(propan-2-ylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 2680887
N-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 93101162
N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide
CID 7930702

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide (CID 7249590) is 1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide is C[C@@H](CCc1ccccc1)NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is CKLNNESDTBNVMD-SFHVURJKSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-18(14-15-19-9-4-2-5-10-19)25-24(28)22-17-21(23-13-8-16-29-23)26-27(22)20-11-6-3-7-12-20/h2-13,16-18H,14-15H2,1H3,(H,25,28)/t18-/m0/s1.
What are the key properties of 1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide?
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 401.54 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 7249590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).