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

C22H20N4O2 — CID 108801781

IUPACN-(2-methoxy-5-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnn(-c2ccc3ccccc3n2)c1C
InChIInChI=1S/C22H20N4O2/c1-14-8-10-20(28-3)19(12-14)25-22(27)17-13-23-26(15(17)2)21-11-9-16-6-4-5-7-18(16)24-21/h4-13H,1-3H3,(H,25,27)
InChIKeyLWLXACSFEACEPA-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.30
Rot. Bonds4

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

N-(2-methoxy-5-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 108801781) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID108801781
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnn(-c2ccc3ccccc3n2)c1C
InChIInChI=1S/C22H20N4O2/c1-14-8-10-20(28-3)19(12-14)25-22(27)17-13-23-26(15(17)2)21-11-9-16-6-4-5-7-18(16)24-21/h4-13H,1-3H3,(H,25,27)
InChIKeyLWLXACSFEACEPA-UHFFFAOYSA-N
XLogP4.30
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate
CID 108788953
N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788906
N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801833
N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801834
butyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 108788917
N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788844
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
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788899
N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788938
4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096938
N-(2-hydroxypropyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789019

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (CID 108801781) is N-(2-methoxy-5-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is COc1ccc(C)cc1NC(=O)c1cnn(-c2ccc3ccccc3n2)c1C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is LWLXACSFEACEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-8-10-20(28-3)19(12-14)25-22(27)17-13-23-26(15(17)2)21-11-9-16-6-4-5-7-18(16)24-21/h4-13H,1-3H3,(H,25,27).
What are the key properties of N-(2-methoxy-5-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
N-(2-methoxy-5-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108801781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).