5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide

C18H13ClN4O — CID 26245567

IUPAC5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H13ClN4O/c1-12-16(17(19)23(22-12)15-8-3-2-4-9-15)18(24)21-14-7-5-6-13(10-14)11-20/h2-10H,1H3,(H,21,24)
InChIKeyHHVXZRFENWZSHA-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.96
Rot. Bonds3

About 5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide

5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 26245567) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is 5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID26245567
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H13ClN4O/c1-12-16(17(19)23(22-12)15-8-3-2-4-9-15)18(24)21-14-7-5-6-13(10-14)11-20/h2-10H,1H3,(H,21,24)
InChIKeyHHVXZRFENWZSHA-UHFFFAOYSA-N
XLogP3.96
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-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-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 680133
1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9269723
5-chloro-3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 60605483
5-chloro-3-methyl-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide
CID 46603289
5-chloro-N-(2-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 3134520
N-(3-cyanophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2341628
N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 1147396
N-(4-tert-butylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26102988
N-(1,3-benzodioxol-5-yl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2540316
5-chloro-N-(4-chloro-2-methylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26114612
5-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 78776531

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide (CID 26245567) is 5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is HHVXZRFENWZSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c1-12-16(17(19)23(22-12)15-8-3-2-4-9-15)18(24)21-14-7-5-6-13(10-14)11-20/h2-10H,1H3,(H,21,24).
What are the key properties of 5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 336.78 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 26245567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).