2-(4-acetyl-5-methylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one

C11H12N4O2 — CID 137128205

IUPAC2-(4-acetyl-5-methylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCC(=O)c1cnn(-c2nc(C)cc(=O)[nH]2)c1C
InChIInChI=1S/C11H12N4O2/c1-6-4-10(17)14-11(13-6)15-7(2)9(5-12-15)8(3)16/h4-5H,1-3H3,(H,13,14,17)
InChIKeyIDPHIIGZAWCRHD-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.78
Rot. Bonds2

About 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one

2-(4-acetyl-5-methylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 137128205) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-acetyl-5-methylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID137128205
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-(4-acetyl-5-methylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCC(=O)c1cnn(-c2nc(C)cc(=O)[nH]2)c1C
InChIInChI=1S/C11H12N4O2/c1-6-4-10(17)14-11(13-6)15-7(2)9(5-12-15)8(3)16/h4-5H,1-3H3,(H,13,14,17)
InChIKeyIDPHIIGZAWCRHD-UHFFFAOYSA-N
XLogP0.78
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methyl-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-(4-acetyl-5-methylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one (CID 137128205) is 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one is CC(=O)c1cnn(-c2nc(C)cc(=O)[nH]2)c1C.
What is the InChIKey of 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is IDPHIIGZAWCRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-6-4-10(17)14-11(13-6)15-7(2)9(5-12-15)8(3)16/h4-5H,1-3H3,(H,13,14,17).
What are the key properties of 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
2-(4-acetyl-5-methylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 232.24 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-5-methylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137128205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).