3-(1-acetyl-5-methylpyrazol-3-yl)-1H-pyridin-2-one

C11H11N3O2 — CID 137148423

IUPAC3-(1-acetyl-5-methylpyrazol-3-yl)-1H-pyridin-2-one
SMILESCC(=O)n1nc(-c2ccc[nH]c2=O)cc1C
InChIInChI=1S/C11H11N3O2/c1-7-6-10(13-14(7)8(2)15)9-4-3-5-12-11(9)16/h3-6H,1-2H3,(H,12,16)
InChIKeyTZKXZCZOBPPZNO-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.21
Rot. Bonds1

About 3-(1-acetyl-5-methylpyrazol-3-yl)-1H-pyridin-2-one

3-(1-acetyl-5-methylpyrazol-3-yl)-1H-pyridin-2-one (PubChem CID 137148423) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-(1-acetyl-5-methylpyrazol-3-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1-acetyl-5-methylpyrazol-3-yl)-1H-pyridin-2-one
PubChem CID137148423
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-(1-acetyl-5-methylpyrazol-3-yl)-1H-pyridin-2-one
SMILESCC(=O)n1nc(-c2ccc[nH]c2=O)cc1C
InChIInChI=1S/C11H11N3O2/c1-7-6-10(13-14(7)8(2)15)9-4-3-5-12-11(9)16/h3-6H,1-2H3,(H,12,16)
InChIKeyTZKXZCZOBPPZNO-UHFFFAOYSA-N
XLogP1.21
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-acetyl-5-methylpyrazol-3-yl)-1H-pyridin-2-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 3-(1-acetyl-5-methylpyrazol-3-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(1-acetyl-5-methylpyrazol-3-yl)-1H-pyridin-2-one (CID 137148423) is 3-(1-acetyl-5-methylpyrazol-3-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(1-acetyl-5-methylpyrazol-3-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(1-acetyl-5-methylpyrazol-3-yl)-1H-pyridin-2-one is CC(=O)n1nc(-c2ccc[nH]c2=O)cc1C.
What is the InChIKey of 3-(1-acetyl-5-methylpyrazol-3-yl)-1H-pyridin-2-one?
The InChIKey is TZKXZCZOBPPZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-6-10(13-14(7)8(2)15)9-4-3-5-12-11(9)16/h3-6H,1-2H3,(H,12,16).
What are the key properties of 3-(1-acetyl-5-methylpyrazol-3-yl)-1H-pyridin-2-one?
3-(1-acetyl-5-methylpyrazol-3-yl)-1H-pyridin-2-one has a molecular weight of 217.23 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetyl-5-methylpyrazol-3-yl)-1H-pyridin-2-one is sourced from PubChem (CID 137148423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).