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

C20H15ClN4O — CID 108801833

IUPACN-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Cl)c2)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C20H15ClN4O/c1-13-17(20(26)23-16-7-4-6-15(21)11-16)12-22-25(13)19-10-9-14-5-2-3-8-18(14)24-19/h2-12H,1H3,(H,23,26)
InChIKeyURPKHFBOGKOZIJ-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.63
Rot. Bonds3

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

N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 108801833) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID108801833
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC NameN-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Cl)c2)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C20H15ClN4O/c1-13-17(20(26)23-16-7-4-6-15(21)11-16)12-22-25(13)19-10-9-14-5-2-3-8-18(14)24-19/h2-12H,1H3,(H,23,26)
InChIKeyURPKHFBOGKOZIJ-UHFFFAOYSA-N
XLogP4.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788844
N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788906
N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789021
N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801834
5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 136834812
[4-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]phenyl] thiocyanate
CID 108788981
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-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108810824
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

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (CID 108801833) is N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(Cl)c2)cnn1-c1ccc2ccccc2n1.
What is the InChIKey of N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is URPKHFBOGKOZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-13-17(20(26)23-16-7-4-6-15(21)11-16)12-22-25(13)19-10-9-14-5-2-3-8-18(14)24-19/h2-12H,1H3,(H,23,26).
What are the key properties of N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108801833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).