4-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)benzonitrile

C16H12N4O — CID 25097581

IUPAC4-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)benzonitrile
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1-c1ccc(C#N)cc1
InChIInChI=1S/C16H12N4O/c1-11-15(13-7-5-12(10-17)6-8-13)16(21)20(19-11)14-4-2-3-9-18-14/h2-9,19H,1H3
InChIKeyBJYOHPPWOPQBJO-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.41
Rot. Bonds2

About 4-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)benzonitrile

4-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)benzonitrile (PubChem CID 25097581) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)benzonitrile
PubChem CID25097581
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name4-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)benzonitrile
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1-c1ccc(C#N)cc1
InChIInChI=1S/C16H12N4O/c1-11-15(13-7-5-12(10-17)6-8-13)16(21)20(19-11)14-4-2-3-9-18-14/h2-9,19H,1H3
InChIKeyBJYOHPPWOPQBJO-UHFFFAOYSA-N
XLogP2.41
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Phenyl-1-(pyridin-2-yl)-4,5-dihydro-1h-pyrazol-5-one
CID 14050877
2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
CID 6612586
3-Methyl-4-phenyl-1-(pyridin-2-yl)-1h-pyrazol-5-ol
CID 13590499
3-[(4-tert-Butyl-benzoyl)-hydrazono]-N-(4-methyl-pyridin-2-yl)-butyramide
CID 9592178
(3E)-3-{2-[(3-methylphenyl)carbonyl]hydrazinylidene}-N-(pyridin-2-yl)butanamide
CID 9594651
DMT1 blocker 2
CID 25016113
1-hydroxy-2-pyridin-2-yl-4,5-dihydro-2H-benzo[e]indazole-7-carbonitrile
CID 25016370
7-phenyl-2-pyridin-2-yl-4,5-dihydro-2H-benzo[e]indazol-1-ol
CID 25016883
2-pyridin-2-yl-7-p-tolyl-4,5-dihydro-2H-benzo[e]indazol-1-ol
CID 25016886
5-methyl-2-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 25096820
5-methyl-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 25097072
4-(4-Fluorophenyl)-3-methyl-1-(pyridin-2-yl)-1h-pyrazol-5-ol
CID 25097582

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)benzonitrile?
The IUPAC name of 4-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)benzonitrile (CID 25097581) is 4-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)benzonitrile.
What is the SMILES notation for 4-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)benzonitrile?
The canonical SMILES for 4-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)benzonitrile is Cc1[nH]n(-c2ccccn2)c(=O)c1-c1ccc(C#N)cc1.
What is the InChIKey of 4-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)benzonitrile?
The InChIKey is BJYOHPPWOPQBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-11-15(13-7-5-12(10-17)6-8-13)16(21)20(19-11)14-4-2-3-9-18-14/h2-9,19H,1H3.
What are the key properties of 4-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)benzonitrile?
4-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)benzonitrile has a molecular weight of 276.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)benzonitrile is sourced from PubChem (CID 25097581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).