N-(4-chlorophenyl)-3,5-dimethylpyrazole-1-carboxamide

C12H12ClN3O — CID 785984

IUPACN-(4-chlorophenyl)-3,5-dimethylpyrazole-1-carboxamide
SMILESCc1cc(C)n(C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3O/c1-8-7-9(2)16(15-8)12(17)14-11-5-3-10(13)4-6-11/h3-7H,1-2H3,(H,14,17)
InChIKeyKTWBSDPFJSOINV-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.23
Rot. Bonds1

About N-(4-chlorophenyl)-3,5-dimethylpyrazole-1-carboxamide

N-(4-chlorophenyl)-3,5-dimethylpyrazole-1-carboxamide (PubChem CID 785984) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3,5-dimethylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3,5-dimethylpyrazole-1-carboxamide
PubChem CID785984
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-(4-chlorophenyl)-3,5-dimethylpyrazole-1-carboxamide
SMILESCc1cc(C)n(C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3O/c1-8-7-9(2)16(15-8)12(17)14-11-5-3-10(13)4-6-11/h3-7H,1-2H3,(H,14,17)
InChIKeyKTWBSDPFJSOINV-UHFFFAOYSA-N
XLogP3.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-3,5-dimethylpyrazole-1-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

1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-3-methyl-
CID 170301
1-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea
CID 446816
N-(3-chlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815115
3,5-Dimethyl-pyrazole-1-carboxylic acid phenylamide
CID 301738
1-(2-Tert-butyl-5-methylpyrazol-3-yl)-3-(3-chlorophenyl)urea
CID 2447447
1-(3,4-Dichlorophenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)urea
CID 4885280
N-(4-chlorophenyl)-N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea
CID 16193476
N-(1-tert-butyl-3-cyclopropyl-1H-pyrazol-5-yl)-N'-(4-chlorophenyl)urea
CID 339572
N-(4-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 842009
N-(4-chlorophenyl)-2-(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)-2-methyl-1-hydrazinecarboxamide
CID 1478272
1-(4-Chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 2813772
N-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-amine
CID 2400956

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3,5-dimethylpyrazole-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3,5-dimethylpyrazole-1-carboxamide (CID 785984) is N-(4-chlorophenyl)-3,5-dimethylpyrazole-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3,5-dimethylpyrazole-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3,5-dimethylpyrazole-1-carboxamide is Cc1cc(C)n(C(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-3,5-dimethylpyrazole-1-carboxamide?
The InChIKey is KTWBSDPFJSOINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8-7-9(2)16(15-8)12(17)14-11-5-3-10(13)4-6-11/h3-7H,1-2H3,(H,14,17).
What are the key properties of N-(4-chlorophenyl)-3,5-dimethylpyrazole-1-carboxamide?
N-(4-chlorophenyl)-3,5-dimethylpyrazole-1-carboxamide has a molecular weight of 249.70 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3,5-dimethylpyrazole-1-carboxamide is sourced from PubChem (CID 785984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).