5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide

C20H16N4O — CID 137375534

IUPAC5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3ccccc3n2)cnn1-c1ccccc1
InChIInChI=1S/C20H16N4O/c1-14-17(13-21-24(14)16-8-3-2-4-9-16)20(25)23-19-12-11-15-7-5-6-10-18(15)22-19/h2-13H,1H3,(H,22,23,25)
InChIKeyWCQKQNCZKHLGHN-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.98
Rot. Bonds3

About 5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide

5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 137375534) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID137375534
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3ccccc3n2)cnn1-c1ccccc1
InChIInChI=1S/C20H16N4O/c1-14-17(13-21-24(14)16-8-3-2-4-9-16)20(25)23-19-12-11-15-7-5-6-10-18(15)22-19/h2-13H,1H3,(H,22,23,25)
InChIKeyWCQKQNCZKHLGHN-UHFFFAOYSA-N
XLogP3.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375541
3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 51193529
1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375557
N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804181
2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
CID 108804246
5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 136834812
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 122356232
N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801834
N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850670
3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108801795

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide (CID 137375534) is 5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc3ccccc3n2)cnn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is WCQKQNCZKHLGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-14-17(13-21-24(14)16-8-3-2-4-9-16)20(25)23-19-12-11-15-7-5-6-10-18(15)22-19/h2-13H,1H3,(H,22,23,25).
What are the key properties of 5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide?
5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 137375534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).