2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-4-phenyl-1H-pyrimidin-6-one

C14H12N4O2 — CID 162650045

IUPAC2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-4-phenyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)n(-c2nc(-c3ccccc3)cc(=O)[nH]2)[nH]1
InChIInChI=1S/C14H12N4O2/c1-9-7-13(20)18(17-9)14-15-11(8-12(19)16-14)10-5-3-2-4-6-10/h2-8,17H,1H3,(H,15,16,19)
InChIKeyBXUMICTWISBQPR-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.22
Rot. Bonds2

About 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-4-phenyl-1H-pyrimidin-6-one

2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 162650045) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-4-phenyl-1H-pyrimidin-6-one
PubChem CID162650045
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-4-phenyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)n(-c2nc(-c3ccccc3)cc(=O)[nH]2)[nH]1
InChIInChI=1S/C14H12N4O2/c1-9-7-13(20)18(17-9)14-15-11(8-12(19)16-14)10-5-3-2-4-6-10/h2-8,17H,1H3,(H,15,16,19)
InChIKeyBXUMICTWISBQPR-UHFFFAOYSA-N
XLogP1.22
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-4-phenyl-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-4-phenyl-1H-pyrimidin-6-one (CID 162650045) is 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-4-phenyl-1H-pyrimidin-6-one is Cc1cc(=O)n(-c2nc(-c3ccccc3)cc(=O)[nH]2)[nH]1.
What is the InChIKey of 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is BXUMICTWISBQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-9-7-13(20)18(17-9)14-15-11(8-12(19)16-14)10-5-3-2-4-6-10/h2-8,17H,1H3,(H,15,16,19).
What are the key properties of 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-4-phenyl-1H-pyrimidin-6-one?
2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 268.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 162650045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).