N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide

C21H17ClN4O — CID 108788906

IUPACN-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc3ccccc3n2)c1C
InChIInChI=1S/C21H17ClN4O/c1-13-7-9-16(22)11-19(13)25-21(27)17-12-23-26(14(17)2)20-10-8-15-5-3-4-6-18(15)24-20/h3-12H,1-2H3,(H,25,27)
InChIKeyLQMHBZLXTNBKMF-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.94
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide

N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 108788906) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID108788906
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC NameN-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc3ccccc3n2)c1C
InChIInChI=1S/C21H17ClN4O/c1-13-7-9-16(22)11-19(13)25-21(27)17-12-23-26(14(17)2)20-10-8-15-5-3-4-6-18(15)24-20/h3-12H,1-2H3,(H,25,27)
InChIKeyLQMHBZLXTNBKMF-UHFFFAOYSA-N
XLogP4.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-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-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801833
N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788844
dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate
CID 108788953
N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788938
N-(2-methoxy-5-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801781
5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788845
N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801834
N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789021
5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 136834812
5-methyl-N-(2-oxo-1H-pyrimidin-6-yl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801801
butyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 108788917
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801856

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (CID 108788906) is N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc3ccccc3n2)c1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is LQMHBZLXTNBKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-13-7-9-16(22)11-19(13)25-21(27)17-12-23-26(14(17)2)20-10-8-15-5-3-4-6-18(15)24-20/h3-12H,1-2H3,(H,25,27).
What are the key properties of N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 376.85 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108788906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).