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

C22H18N4O2 — CID 108801834

IUPACN-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnn(-c3ccc4ccccc4n3)c2C)cc1
InChIInChI=1S/C22H18N4O2/c1-14-19(22(28)24-18-10-7-16(8-11-18)15(2)27)13-23-26(14)21-12-9-17-5-3-4-6-20(17)25-21/h3-13H,1-2H3,(H,24,28)
InChIKeyHTVMKBAXWMMYJI-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.18
Rot. Bonds4

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

N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 108801834) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID108801834
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnn(-c3ccc4ccccc4n3)c2C)cc1
InChIInChI=1S/C22H18N4O2/c1-14-19(22(28)24-18-10-7-16(8-11-18)15(2)27)13-23-26(14)21-12-9-17-5-3-4-6-20(17)25-21/h3-13H,1-2H3,(H,24,28)
InChIKeyHTVMKBAXWMMYJI-UHFFFAOYSA-N
XLogP4.18
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789021
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789018
[4-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]phenyl] thiocyanate
CID 108788981
N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788844
5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108810824
N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801833
dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate
CID 108788953
N-[4-(cyclohexylsulfamoyl)phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801855
N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788938
5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 108789024
N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788906
N-(2-hydroxypropyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789019

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (CID 108801834) is N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is CC(=O)c1ccc(NC(=O)c2cnn(-c3ccc4ccccc4n3)c2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is HTVMKBAXWMMYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-14-19(22(28)24-18-10-7-16(8-11-18)15(2)27)13-23-26(14)21-12-9-17-5-3-4-6-20(17)25-21/h3-13H,1-2H3,(H,24,28).
What are the key properties of N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108801834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).