N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide

C24H20ClN3O — CID 2412473

IUPACN-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2Cl)cc1C
InChIInChI=1S/C24H20ClN3O/c1-16-12-13-18(14-17(16)2)23-20(15-28(27-23)19-8-4-3-5-9-19)24(29)26-22-11-7-6-10-21(22)25/h3-15H,1-2H3,(H,26,29)
InChIKeyANKPQCKZBVODSW-UHFFFAOYSA-N
MW401.90 g/mol
LogP6.06
Rot. Bonds4

About N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide

N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 2412473) has the molecular formula C24H20ClN3O and a molecular weight of 401.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID2412473
Molecular FormulaC24H20ClN3O
Molecular Weight401.90 g/mol
Exact Mass401.13
IUPAC NameN-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2Cl)cc1C
InChIInChI=1S/C24H20ClN3O/c1-16-12-13-18(14-17(16)2)23-20(15-28(27-23)19-8-4-3-5-9-19)24(29)26-22-11-7-6-10-21(22)25/h3-15H,1-2H3,(H,26,29)
InChIKeyANKPQCKZBVODSW-UHFFFAOYSA-N
XLogP6.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.90
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 154929741
N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281305
3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 9162880
3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126772957
N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119477405
N-(5-fluoro-2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7777734
N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 56580220
N-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 26210602
3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
CID 9224757
3-(3,4-dimethylphenyl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide
CID 55869482
3-(3,4-dimethylphenyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 9227765
N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 55784527

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide (CID 2412473) is N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2Cl)cc1C.
What is the InChIKey of N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is ANKPQCKZBVODSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O/c1-16-12-13-18(14-17(16)2)23-20(15-28(27-23)19-8-4-3-5-9-19)24(29)26-22-11-7-6-10-21(22)25/h3-15H,1-2H3,(H,26,29).
What are the key properties of N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide?
N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 401.90 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2412473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).