N-(4-chlorophenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

C17H14ClN3O — CID 51046316

IUPACN-(4-chlorophenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)[nH]n2)cc1
InChIInChI=1S/C17H14ClN3O/c1-11-2-4-12(5-3-11)15-10-16(21-20-15)17(22)19-14-8-6-13(18)7-9-14/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyDGZCIQCQXQGQBC-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.29
Rot. Bonds3

About N-(4-chlorophenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

N-(4-chlorophenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 51046316) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID51046316
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-(4-chlorophenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)[nH]n2)cc1
InChIInChI=1S/C17H14ClN3O/c1-11-2-4-12(5-3-11)15-10-16(21-20-15)17(22)19-14-8-6-13(18)7-9-14/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyDGZCIQCQXQGQBC-UHFFFAOYSA-N
XLogP4.29
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-chlorophenyl)-3-(4-methylphenyl)-1H-pyrazole-5-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-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-Pyrazole-3-carboxamide
CID 66844170
N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]-3-pyrazolecarboxamide
CID 2747052
N-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 2747053
N-Acetyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide
CID 25157884
N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 4884098
N-(4-chlorophenyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 6625210
1,5-Bis-(4-chloro-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide
CID 10788693
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carbohydrazide
CID 10982154
2-(4-chlorophenyl)-4-(5-methyl-1H-pyrazol-3-ylamino)phthalazin-1(2H)-one
CID 11617275
N-(2,2-dimethyl-propionyl)-1-(2,4-dichlorophenyl)-4-methyl-5-(4-chlorophenyl)-1H-pyrazole-3-carboxamide
CID 24880838
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexanoyl-4-methyl-1H-pyrazole-3-carboxamide
CID 24880839
5-(4-chlorophenyl)-N-[(Z)-octadec-9-enyl]-1-phenylpyrazole-3-carboxamide
CID 24896636

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 51046316) is N-(4-chlorophenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)[nH]n2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is DGZCIQCQXQGQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-11-2-4-12(5-3-11)15-10-16(21-20-15)17(22)19-14-8-6-13(18)7-9-14/h2-10H,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(4-chlorophenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
N-(4-chlorophenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 51046316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).