1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide

C19H18FN3O — CID 92538268

IUPAC1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c1-14(16-7-9-18(20)10-8-16)22-19(24)17-11-21-23(13-17)12-15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyOJYSVBCSDPYYLW-CQSZACIVSA-N
MW323.37 g/mol
LogP3.56
Rot. Bonds5

About 1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide

1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide (PubChem CID 92538268) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
PubChem CID92538268
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c1-14(16-7-9-18(20)10-8-16)22-19(24)17-11-21-23(13-17)12-15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyOJYSVBCSDPYYLW-CQSZACIVSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]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-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]pyrazole-4-carboxamide
CID 51646822
(4S)-4-[(1-benzylpyrazole-4-carbonyl)amino]pentanoic acid
CID 97338785
1-benzylpyrazole-4-carbohydrazide
CID 83386286
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
methyl (2S)-2-[(1-benzylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
CID 27228320
1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide
CID 95073144
1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazole-4-carboxamide
CID 18281965
1-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-N-[(2S,3S)-3-hydroxy-4-[4-(methylcarbamoyl)pyrazol-1-yl]-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
CID 72707873
1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
CID 118777279
1-benzyl-N-(4-fluoro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 32610344
1-[(2-chlorophenyl)methyl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 55893248

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide (CID 92538268) is 1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide is C[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide?
The InChIKey is OJYSVBCSDPYYLW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-14(16-7-9-18(20)10-8-16)22-19(24)17-11-21-23(13-17)12-15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3,(H,22,24)/t14-/m1/s1.
What are the key properties of 1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide?
1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 92538268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).