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

C22H20N4O — CID 137375541

IUPAC1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCCc1ccccc1-n1ncc(C(=O)Nc2ccc3ccccc3n2)c1C
InChIInChI=1S/C22H20N4O/c1-3-16-8-5-7-11-20(16)26-15(2)18(14-23-26)22(27)25-21-13-12-17-9-4-6-10-19(17)24-21/h4-14H,3H2,1-2H3,(H,24,25,27)
InChIKeyAUVWZEGUEHUMBV-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.54
Rot. Bonds4

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

1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 137375541) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID137375541
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCCc1ccccc1-n1ncc(C(=O)Nc2ccc3ccccc3n2)c1C
InChIInChI=1S/C22H20N4O/c1-3-16-8-5-7-11-20(16)26-15(2)18(14-23-26)22(27)25-21-13-12-17-9-4-6-10-19(17)24-21/h4-14H,3H2,1-2H3,(H,24,25,27)
InChIKeyAUVWZEGUEHUMBV-UHFFFAOYSA-N
XLogP4.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375534
1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375557
5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 136834812
N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788938
N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801834
N-(2-hydroxypropyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789019
3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108801795
N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789021
2,3,4-trihydroxy-N-quinolin-2-ylbenzamide
CID 54185364
butyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 108788917
2-ethyl-N-[3-(quinolin-2-ylcarbamoyl)phenyl]benzamide
CID 68778884
N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801833

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide (CID 137375541) is 1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide is CCc1ccccc1-n1ncc(C(=O)Nc2ccc3ccccc3n2)c1C.
What is the InChIKey of 1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is AUVWZEGUEHUMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-3-16-8-5-7-11-20(16)26-15(2)18(14-23-26)22(27)25-21-13-12-17-9-4-6-10-19(17)24-21/h4-14H,3H2,1-2H3,(H,24,25,27).
What are the key properties of 1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 137375541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).