N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide

C21H17ClN4O — CID 108788844

IUPACN-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccc4ccccc4n3)c2C)cc1Cl
InChIInChI=1S/C21H17ClN4O/c1-13-7-9-16(11-18(13)22)24-21(27)17-12-23-26(14(17)2)20-10-8-15-5-3-4-6-19(15)25-20/h3-12H,1-2H3,(H,24,27)
InChIKeyPIUQSJMRVKHJPP-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.94
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide

N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 108788844) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID108788844
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC NameN-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccc4ccccc4n3)c2C)cc1Cl
InChIInChI=1S/C21H17ClN4O/c1-13-7-9-16(11-18(13)22)24-21(27)17-12-23-26(14(17)2)20-10-8-15-5-3-4-6-19(15)25-20/h3-12H,1-2H3,(H,24,27)
InChIKeyPIUQSJMRVKHJPP-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

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Related Compounds

N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801833
N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788906
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
[4-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]phenyl] thiocyanate
CID 108788981
5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108810824
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789018
N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788938
dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate
CID 108788953
5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788845
5-methyl-N-(2-oxo-1H-pyrimidin-6-yl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801801
5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 136834812

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (CID 108788844) is N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(-c3ccc4ccccc4n3)c2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is PIUQSJMRVKHJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-13-7-9-16(11-18(13)22)24-21(27)17-12-23-26(14(17)2)20-10-8-15-5-3-4-6-19(15)25-20/h3-12H,1-2H3,(H,24,27).
What are the key properties of N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
N-(3-chloro-4-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-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108788844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).