2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one

C15H14N4O — CID 135433800

IUPAC2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one
SMILESCc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)[nH]2)n1
InChIInChI=1S/C15H14N4O/c1-10-8-11(2)19(18-10)15-16-13(9-14(20)17-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,20)
InChIKeyJXBDKWPDMSQNDQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.24
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one

2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135433800) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one
PubChem CID135433800
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one
SMILESCc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)[nH]2)n1
InChIInChI=1S/C15H14N4O/c1-10-8-11(2)19(18-10)15-16-13(9-14(20)17-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,20)
InChIKeyJXBDKWPDMSQNDQ-UHFFFAOYSA-N
XLogP2.24
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethylpyrazol-1-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-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one (CID 135433800) is 2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one is Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)[nH]2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is JXBDKWPDMSQNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-8-11(2)19(18-10)15-16-13(9-14(20)17-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,20).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one?
2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 266.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135433800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).