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

C23H21N3OS — CID 7267654

IUPAC1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3cccs3)cc2C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C23H21N3OS/c1-16-10-12-19(13-11-16)26-21(15-20(25-26)22-9-6-14-28-22)23(27)24-17(2)18-7-4-3-5-8-18/h3-15,17H,1-2H3,(H,24,27)/t17-/m0/s1
InChIKeyKFDJTRXREIUMMW-KRWDZBQOSA-N
MW387.51 g/mol
LogP5.40
Rot. Bonds5

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

1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 7267654) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID7267654
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3cccs3)cc2C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C23H21N3OS/c1-16-10-12-19(13-11-16)26-21(15-20(25-26)22-9-6-14-28-22)23(27)24-17(2)18-7-4-3-5-8-18/h3-15,17H,1-2H3,(H,24,27)/t17-/m0/s1
InChIKeyKFDJTRXREIUMMW-KRWDZBQOSA-N
XLogP5.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.40
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-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7414159
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 40551893
1-(4-methylphenyl)-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812787
3-(furan-2-yl)-1-(4-methylphenyl)-N-(1-phenylethyl)pyrazole-5-carboxamide
CID 3692522
1-(4-chlorophenyl)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7495251
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7249590
N-butyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514814
N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514813
N-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 93101162
1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
CID 40551886
[2-oxo-2-(propan-2-ylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 2680887

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide (CID 7267654) is 1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide is Cc1ccc(-n2nc(-c3cccs3)cc2C(=O)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is KFDJTRXREIUMMW-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H21N3OS/c1-16-10-12-19(13-11-16)26-21(15-20(25-26)22-9-6-14-28-22)23(27)24-17(2)18-7-4-3-5-8-18/h3-15,17H,1-2H3,(H,24,27)/t17-/m0/s1.
What are the key properties of 1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 7267654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).