4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile

C17H14N4O — CID 86795241

IUPAC4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile
SMILESCc1ccn(Cc2cnn(-c3ccccc3)c2)c(=O)c1C#N
InChIInChI=1S/C17H14N4O/c1-13-7-8-20(17(22)16(13)9-18)11-14-10-19-21(12-14)15-5-3-2-4-6-15/h2-8,10,12H,11H2,1H3
InChIKeyHSENFWHOHKQPCT-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.26
Rot. Bonds3

About 4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile

4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile (PubChem CID 86795241) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile
PubChem CID86795241
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile
SMILESCc1ccn(Cc2cnn(-c3ccccc3)c2)c(=O)c1C#N
InChIInChI=1S/C17H14N4O/c1-13-7-8-20(17(22)16(13)9-18)11-14-10-19-21(12-14)15-5-3-2-4-6-15/h2-8,10,12H,11H2,1H3
InChIKeyHSENFWHOHKQPCT-UHFFFAOYSA-N
XLogP2.26
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 86795367
3-nitro-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one
CID 100669210
5-bromo-6-methyl-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 66308350
1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82113564
4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 82111413
1-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrol-2-yl]ethanone
CID 79107228
1-[(1-phenylpyrazol-4-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 60709700
6-chloro-5-iodo-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 114584007
3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 115696938
4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile
CID 126997451
5-bromo-6-chloro-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 114583577
1-phenyl-4-propylpyrazole
CID 12902534

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile (CID 86795241) is 4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile is Cc1ccn(Cc2cnn(-c3ccccc3)c2)c(=O)c1C#N.
What is the InChIKey of 4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile?
The InChIKey is HSENFWHOHKQPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-13-7-8-20(17(22)16(13)9-18)11-14-10-19-21(12-14)15-5-3-2-4-6-15/h2-8,10,12H,11H2,1H3.
What are the key properties of 4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile?
4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile has a molecular weight of 290.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 86795241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).