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

C23H18N4O2 — CID 135355520

IUPAC4-methoxy-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile
SMILESCOc1ccc(C#N)c(-n2cc(-c3cn(C)c(=O)cc3-c3ccccc3)cn2)c1
InChIInChI=1S/C23H18N4O2/c1-26-15-21(20(11-23(26)28)16-6-4-3-5-7-16)18-13-25-27(14-18)22-10-19(29-2)9-8-17(22)12-24/h3-11,13-15H,1-2H3
InChIKeyQKJZSOXNROVYHG-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.79
Rot. Bonds4

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

4-methoxy-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile (PubChem CID 135355520) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-methoxy-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name4-methoxy-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile
PubChem CID135355520
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name4-methoxy-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile
SMILESCOc1ccc(C#N)c(-n2cc(-c3cn(C)c(=O)cc3-c3ccccc3)cn2)c1
InChIInChI=1S/C23H18N4O2/c1-26-15-21(20(11-23(26)28)16-6-4-3-5-7-16)18-13-25-27(14-18)22-10-19(29-2)9-8-17(22)12-24/h3-11,13-15H,1-2H3
InChIKeyQKJZSOXNROVYHG-UHFFFAOYSA-N
XLogP3.79
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile?
The IUPAC name of 4-methoxy-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile (CID 135355520) is 4-methoxy-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile.
What is the SMILES notation for 4-methoxy-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile?
The canonical SMILES for 4-methoxy-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile is COc1ccc(C#N)c(-n2cc(-c3cn(C)c(=O)cc3-c3ccccc3)cn2)c1.
What is the InChIKey of 4-methoxy-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile?
The InChIKey is QKJZSOXNROVYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-26-15-21(20(11-23(26)28)16-6-4-3-5-7-16)18-13-25-27(14-18)22-10-19(29-2)9-8-17(22)12-24/h3-11,13-15H,1-2H3.
What are the key properties of 4-methoxy-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile?
4-methoxy-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile has a molecular weight of 382.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 135355520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).