N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide

C24H19ClN4O2 — CID 55881703

IUPACN-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2NC(=O)c2ccc(Cl)cc2)nn1-c1ccccc1
InChIInChI=1S/C24H19ClN4O2/c1-16-15-22(28-29(16)19-7-3-2-4-8-19)24(31)27-21-10-6-5-9-20(21)26-23(30)17-11-13-18(25)14-12-17/h2-15H,1H3,(H,26,30)(H,27,31)
InChIKeyZEUXXRTUOSODHW-UHFFFAOYSA-N
MW430.90 g/mol
LogP5.34
Rot. Bonds5

About N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide

N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 55881703) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID55881703
Molecular FormulaC24H19ClN4O2
Molecular Weight430.90 g/mol
Exact Mass430.12
IUPAC NameN-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2NC(=O)c2ccc(Cl)cc2)nn1-c1ccccc1
InChIInChI=1S/C24H19ClN4O2/c1-16-15-22(28-29(16)19-7-3-2-4-8-19)24(31)27-21-10-6-5-9-20(21)26-23(30)17-11-13-18(25)14-12-17/h2-15H,1H3,(H,26,30)(H,27,31)
InChIKeyZEUXXRTUOSODHW-UHFFFAOYSA-N
XLogP5.34
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.90
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 71684163
N-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78884016
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55759004
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide
CID 46107065
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373118
5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 55991299
5-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55785215
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
benzamido 5-methyl-1-phenylpyrazole-3-carboxylate
CID 5019720
4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
CID 21369168

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide (CID 55881703) is N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2NC(=O)c2ccc(Cl)cc2)nn1-c1ccccc1.
What is the InChIKey of N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is ZEUXXRTUOSODHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O2/c1-16-15-22(28-29(16)19-7-3-2-4-8-19)24(31)27-21-10-6-5-9-20(21)26-23(30)17-11-13-18(25)14-12-17/h2-15H,1H3,(H,26,30)(H,27,31).
What are the key properties of N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 430.90 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55881703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).