N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide

C23H18ClN3O — CID 7915082

IUPACN-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C23H18ClN3O/c1-16-19(24)13-8-14-20(16)25-23(28)22-15-21(17-9-4-2-5-10-17)26-27(22)18-11-6-3-7-12-18/h2-15H,1H3,(H,25,28)
InChIKeySEZIWDFSKYHLSG-UHFFFAOYSA-N
MW387.87 g/mol
LogP5.75
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide

N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide (PubChem CID 7915082) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide
PubChem CID7915082
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC NameN-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C23H18ClN3O/c1-16-19(24)13-8-14-20(16)25-23(28)22-15-21(17-9-4-2-5-10-17)26-27(22)18-11-6-3-7-12-18/h2-15H,1H3,(H,25,28)
InChIKeySEZIWDFSKYHLSG-UHFFFAOYSA-N
XLogP5.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-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

N-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 50745463
N-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7934858
methyl 3-[(1,3-diphenylpyrazole-5-carbonyl)amino]-4-methylbenzoate
CID 7920471
N-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 50745535
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754604
1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42758329
N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 3975682
N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide
CID 7930702
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-diphenylpyrazole-5-carboxamide
CID 4966055
1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide
CID 4298131
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-diphenylpyrazole-5-carboxamide
CID 2650045

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide (CID 7915082) is N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide?
The InChIKey is SEZIWDFSKYHLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O/c1-16-19(24)13-8-14-20(16)25-23(28)22-15-21(17-9-4-2-5-10-17)26-27(22)18-11-6-3-7-12-18/h2-15H,1H3,(H,25,28).
What are the key properties of N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide?
N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide is sourced from PubChem (CID 7915082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).