4-acetyl-2,5-dimethyl-1H-pyrazol-3-one

C7H10N2O2 — CID 10725566

IUPAC4-acetyl-2,5-dimethyl-1H-pyrazol-3-one
SMILESCC(=O)c1c(C)[nH]n(C)c1=O
InChIInChI=1S/C7H10N2O2/c1-4-6(5(2)10)7(11)9(3)8-4/h8H,1-3H3
InChIKeyOYKNXAFGSOYNGP-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.22
Rot. Bonds1

About 4-acetyl-2,5-dimethyl-1H-pyrazol-3-one

4-acetyl-2,5-dimethyl-1H-pyrazol-3-one (PubChem CID 10725566) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-acetyl-2,5-dimethyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-acetyl-2,5-dimethyl-1H-pyrazol-3-one
PubChem CID10725566
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name4-acetyl-2,5-dimethyl-1H-pyrazol-3-one
SMILESCC(=O)c1c(C)[nH]n(C)c1=O
InChIInChI=1S/C7H10N2O2/c1-4-6(5(2)10)7(11)9(3)8-4/h8H,1-3H3
InChIKeyOYKNXAFGSOYNGP-UHFFFAOYSA-N
XLogP0.22
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-2,5-dimethyl-1H-pyrazol-3-one with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-fluoroethyl)-2,5-dimethyl-1H-pyrazol-3-one
CID 84650757
4-acetyl-2-hexyl-5-methyl-1H-pyrazol-3-one
CID 21578545
4-ethyl-2,3-dimethyl-1H-pyrazol-5-one
CID 11051741
4-(2-chloroacetyl)-2,5-dimethyl-1H-pyrazol-3-one
CID 18433919
4-acetyl-1,2,3-trimethyl-1H-pyrazol-1-ium-5-one
CID 23468153
4-Acetyl-1,2,5-trimethylpyrazol-3-one
CID 23468154
2-methyl-4,5-di(propan-2-yl)-1H-pyrazol-3-one
CID 59517516
2,5-dimethyl-4-propanoyl-1H-pyrazol-3-one
CID 59961900
2,5-dimethyl-4-(2-oxopropyl)-1H-pyrazol-3-one
CID 59961911
4-Acetyl-2-methyl-1,5-dihydropyrazol-5-id-3-one;yttrium
CID 60069999
4-ethyl-1,3-dimethyl-1H-pyrazol-5-ol
CID 66020641
1,3-dimethyl-4-(propan-2-yl)-1H-pyrazol-5-ol
CID 66020644

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2,5-dimethyl-1H-pyrazol-3-one?
The IUPAC name of 4-acetyl-2,5-dimethyl-1H-pyrazol-3-one (CID 10725566) is 4-acetyl-2,5-dimethyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-acetyl-2,5-dimethyl-1H-pyrazol-3-one?
The canonical SMILES for 4-acetyl-2,5-dimethyl-1H-pyrazol-3-one is CC(=O)c1c(C)[nH]n(C)c1=O.
What is the InChIKey of 4-acetyl-2,5-dimethyl-1H-pyrazol-3-one?
The InChIKey is OYKNXAFGSOYNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4-6(5(2)10)7(11)9(3)8-4/h8H,1-3H3.
What are the key properties of 4-acetyl-2,5-dimethyl-1H-pyrazol-3-one?
4-acetyl-2,5-dimethyl-1H-pyrazol-3-one has a molecular weight of 154.17 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2,5-dimethyl-1H-pyrazol-3-one is sourced from PubChem (CID 10725566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).