1-benzyl-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]pyrazole-4-carboxamide

C21H22FN3O — CID 51646822

IUPAC1-benzyl-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]pyrazole-4-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(F)cc1
InChIInChI=1S/C21H22FN3O/c1-15(2)20(17-8-10-19(22)11-9-17)24-21(26)18-12-23-25(14-18)13-16-6-4-3-5-7-16/h3-12,14-15,20H,13H2,1-2H3,(H,24,26)/t20-/m0/s1
InChIKeyUJEXSPJRLHSVLN-FQEVSTJZSA-N
MW351.43 g/mol
LogP4.20
Rot. Bonds6

About 1-benzyl-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]pyrazole-4-carboxamide

1-benzyl-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]pyrazole-4-carboxamide (PubChem CID 51646822) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-benzyl-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]pyrazole-4-carboxamide
PubChem CID51646822
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name1-benzyl-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]pyrazole-4-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(F)cc1
InChIInChI=1S/C21H22FN3O/c1-15(2)20(17-8-10-19(22)11-9-17)24-21(26)18-12-23-25(14-18)13-16-6-4-3-5-7-16/h3-12,14-15,20H,13H2,1-2H3,(H,24,26)/t20-/m0/s1
InChIKeyUJEXSPJRLHSVLN-FQEVSTJZSA-N
XLogP4.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 92538268
N-[1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
CID 24625573
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
CID 51646823
(4S)-4-[(1-benzylpyrazole-4-carbonyl)amino]pentanoic acid
CID 97338785
1-benzylpyrazole-4-carbohydrazide
CID 83386286
methyl (2S)-2-[(1-benzylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
CID 27228320
1-benzyl-N-[2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 42894629
1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 27230847
1-benzyl-N-(4-fluoro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 32610344
N-(1-aminohexan-2-yl)-1-benzylpyrazole-4-carboxamide
CID 119666355
1-benzyl-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 86996216
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]pyrazole-4-carboxamide (CID 51646822) is 1-benzyl-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]pyrazole-4-carboxamide is CC(C)[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]pyrazole-4-carboxamide?
The InChIKey is UJEXSPJRLHSVLN-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-15(2)20(17-8-10-19(22)11-9-17)24-21(26)18-12-23-25(14-18)13-16-6-4-3-5-7-16/h3-12,14-15,20H,13H2,1-2H3,(H,24,26)/t20-/m0/s1.
What are the key properties of 1-benzyl-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]pyrazole-4-carboxamide?
1-benzyl-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]pyrazole-4-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]pyrazole-4-carboxamide is sourced from PubChem (CID 51646822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).