N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide

C24H21N3O — CID 19281305

IUPACN-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C24H21N3O/c1-17-13-14-18(2)22(15-17)25-24(28)21-16-27(20-11-7-4-8-12-20)26-23(21)19-9-5-3-6-10-19/h3-16H,1-2H3,(H,25,28)
InChIKeyWKQHSVZWFUGFHC-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.41
Rot. Bonds4

About N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide

N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 19281305) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID19281305
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC NameN-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C24H21N3O/c1-17-13-14-18(2)22(15-17)25-24(28)21-16-27(20-11-7-4-8-12-20)26-23(21)19-9-5-3-6-10-19/h3-16H,1-2H3,(H,25,28)
InChIKeyWKQHSVZWFUGFHC-UHFFFAOYSA-N
XLogP5.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8712640
N-(5-fluoro-2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7777734
N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 55784527
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 26881990
3-(3-chlorophenyl)-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 154929741
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2412473
N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 2475126
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 139226266
N-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4812792
N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 56580220
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 2362099

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide (CID 19281305) is N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide is Cc1ccc(C)c(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is WKQHSVZWFUGFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-17-13-14-18(2)22(15-17)25-24(28)21-16-27(20-11-7-4-8-12-20)26-23(21)19-9-5-3-6-10-19/h3-16H,1-2H3,(H,25,28).
What are the key properties of N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 19281305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).