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

C19H18ClN3O — CID 680133

IUPAC5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1C
InChIInChI=1S/C19H18ClN3O/c1-12-9-10-15(11-13(12)2)21-19(24)17-14(3)22-23(18(17)20)16-7-5-4-6-8-16/h4-11H,1-3H3,(H,21,24)
InChIKeyKDAXIVMMXFLDFF-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.70
Rot. Bonds3

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

5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 680133) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID680133
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1C
InChIInChI=1S/C19H18ClN3O/c1-12-9-10-15(11-13(12)2)21-19(24)17-14(3)22-23(18(17)20)16-7-5-4-6-8-16/h4-11H,1-3H3,(H,21,24)
InChIKeyKDAXIVMMXFLDFF-UHFFFAOYSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-(3,4-dimethylphenyl)-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

N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 1147396
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
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
5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26245567
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9209660
5-chloro-N-(4-fluoro-3-nitrophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 94866770
5-chloro-3-methyl-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide
CID 46603289
5-chloro-3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 60605483
N-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692529

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide (CID 680133) is 5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide is Cc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1C.
What is the InChIKey of 5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is KDAXIVMMXFLDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-12-9-10-15(11-13(12)2)21-19(24)17-14(3)22-23(18(17)20)16-7-5-4-6-8-16/h4-11H,1-3H3,(H,21,24).
What are the key properties of 5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 680133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).