4-(5-methoxy-2-pyrazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C17H14N4O2 — CID 168585281

IUPAC4-(5-methoxy-2-pyrazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-n2cccn2)c(-c2cc(C)[nH]c(=O)c2C#N)c1
InChIInChI=1S/C17H14N4O2/c1-11-8-13(15(10-18)17(22)20-11)14-9-12(23-2)4-5-16(14)21-7-3-6-19-21/h3-9H,1-2H3,(H,20,22)
InChIKeyYMGAUFXOKMUMLQ-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.42
Rot. Bonds3

About 4-(5-methoxy-2-pyrazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(5-methoxy-2-pyrazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168585281) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-(5-methoxy-2-pyrazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(5-methoxy-2-pyrazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168585281
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name4-(5-methoxy-2-pyrazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-n2cccn2)c(-c2cc(C)[nH]c(=O)c2C#N)c1
InChIInChI=1S/C17H14N4O2/c1-11-8-13(15(10-18)17(22)20-11)14-9-12(23-2)4-5-16(14)21-7-3-6-19-21/h3-9H,1-2H3,(H,20,22)
InChIKeyYMGAUFXOKMUMLQ-UHFFFAOYSA-N
XLogP2.42
TPSA83.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2-pyrazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(5-methoxy-2-pyrazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168585281) is 4-(5-methoxy-2-pyrazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(5-methoxy-2-pyrazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(5-methoxy-2-pyrazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is COc1ccc(-n2cccn2)c(-c2cc(C)[nH]c(=O)c2C#N)c1.
What is the InChIKey of 4-(5-methoxy-2-pyrazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is YMGAUFXOKMUMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-11-8-13(15(10-18)17(22)20-11)14-9-12(23-2)4-5-16(14)21-7-3-6-19-21/h3-9H,1-2H3,(H,20,22).
What are the key properties of 4-(5-methoxy-2-pyrazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(5-methoxy-2-pyrazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 306.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2-pyrazol-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).