2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile

C22H16N4O — CID 135355134

IUPAC2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile
SMILESCn1cc(-c2cnn(-c3ccccc3C#N)c2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C22H16N4O/c1-25-15-20(19(11-22(25)27)16-7-3-2-4-8-16)18-13-24-26(14-18)21-10-6-5-9-17(21)12-23/h2-11,13-15H,1H3
InChIKeyGDCWSKWUWGIBOL-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.78
Rot. Bonds3

About 2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile

2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile (PubChem CID 135355134) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile
PubChem CID135355134
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile
SMILESCn1cc(-c2cnn(-c3ccccc3C#N)c2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C22H16N4O/c1-25-15-20(19(11-22(25)27)16-7-3-2-4-8-16)18-13-24-26(14-18)21-10-6-5-9-17(21)12-23/h2-11,13-15H,1H3
InChIKeyGDCWSKWUWGIBOL-UHFFFAOYSA-N
XLogP3.78
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile?
The IUPAC name of 2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile (CID 135355134) is 2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile?
The canonical SMILES for 2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile is Cn1cc(-c2cnn(-c3ccccc3C#N)c2)c(-c2ccccc2)cc1=O.
What is the InChIKey of 2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile?
The InChIKey is GDCWSKWUWGIBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c1-25-15-20(19(11-22(25)27)16-7-3-2-4-8-16)18-13-24-26(14-18)21-10-6-5-9-17(21)12-23/h2-11,13-15H,1H3.
What are the key properties of 2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile?
2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile has a molecular weight of 352.40 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 135355134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).