5-[(4-chlorophenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide

C17H14ClN3O — CID 155753654

IUPAC5-[(4-chlorophenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(Cc2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C17H14ClN3O/c18-13-8-6-12(7-9-13)10-15-11-16(21-20-15)17(22)19-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,19,22)(H,20,21)
InChIKeyRKIYPXKHAPOJOF-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.91
Rot. Bonds4

About 5-[(4-chlorophenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide

5-[(4-chlorophenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide (PubChem CID 155753654) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide
PubChem CID155753654
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name5-[(4-chlorophenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(Cc2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C17H14ClN3O/c18-13-8-6-12(7-9-13)10-15-11-16(21-20-15)17(22)19-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,19,22)(H,20,21)
InChIKeyRKIYPXKHAPOJOF-UHFFFAOYSA-N
XLogP3.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[(4-chlorophenyl)methyl]-N-phenyl-1H-pyrazole-3-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

5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-Pyrazole-3-carboxamide
CID 66844170
N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide
CID 339736
N-Phenyl-1H-indazole-3-carboxamide
CID 9341021
N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-2-(4-chlorophenyl)-acetamide
CID 46900281
N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]-3-pyrazolecarboxamide
CID 2747052
N-Acetyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide
CID 25157884
3-(4-chlorophenyl)-N-[(1-methylpiperidin-4-ylidene)amino]-1H-pyrazole-5-carboxamide
CID 4096003
N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 4884098
N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-1,2-dihydro-3-pyridinyl]-4-chlorobenzenecarboxamide
CID 1475595
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide
CID 2740687
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carbohydrazide
CID 10982154
4-chloro-5-[(2-chlorobenzoyl)amino]-N-phenyl-1H-pyrazole-3-carboxamide
CID 11326315

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide (CID 155753654) is 5-[(4-chlorophenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide is O=C(Nc1ccccc1)c1cc(Cc2ccc(Cl)cc2)[nH]n1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide?
The InChIKey is RKIYPXKHAPOJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-13-8-6-12(7-9-13)10-15-11-16(21-20-15)17(22)19-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,19,22)(H,20,21).
What are the key properties of 5-[(4-chlorophenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide?
5-[(4-chlorophenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 155753654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).