1-hydroxy-2,4-dimethylpyrazolidin-3-one

C5H10N2O2 — CID 19914346

IUPAC1-hydroxy-2,4-dimethylpyrazolidin-3-one
SMILESCC1CN(O)N(C)C1=O
InChIInChI=1S/C5H10N2O2/c1-4-3-7(9)6(2)5(4)8/h4,9H,3H2,1-2H3
InChIKeyKOEBKEHZTYJHQK-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.30
Rot. Bonds

About 1-hydroxy-2,4-dimethylpyrazolidin-3-one

1-hydroxy-2,4-dimethylpyrazolidin-3-one (PubChem CID 19914346) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 1-hydroxy-2,4-dimethylpyrazolidin-3-one.

Molecular Properties

Compound Name1-hydroxy-2,4-dimethylpyrazolidin-3-one
PubChem CID19914346
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name1-hydroxy-2,4-dimethylpyrazolidin-3-one
SMILESCC1CN(O)N(C)C1=O
InChIInChI=1S/C5H10N2O2/c1-4-3-7(9)6(2)5(4)8/h4,9H,3H2,1-2H3
InChIKeyKOEBKEHZTYJHQK-UHFFFAOYSA-N
XLogP-0.30
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-hydroxy-2,4-dimethylpyrazolidin-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

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,4-dimethylpyrazolidin-3-one?
The IUPAC name of 1-hydroxy-2,4-dimethylpyrazolidin-3-one (CID 19914346) is 1-hydroxy-2,4-dimethylpyrazolidin-3-one.
What is the SMILES notation for 1-hydroxy-2,4-dimethylpyrazolidin-3-one?
The canonical SMILES for 1-hydroxy-2,4-dimethylpyrazolidin-3-one is CC1CN(O)N(C)C1=O.
What is the InChIKey of 1-hydroxy-2,4-dimethylpyrazolidin-3-one?
The InChIKey is KOEBKEHZTYJHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-4-3-7(9)6(2)5(4)8/h4,9H,3H2,1-2H3.
What are the key properties of 1-hydroxy-2,4-dimethylpyrazolidin-3-one?
1-hydroxy-2,4-dimethylpyrazolidin-3-one has a molecular weight of 130.15 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,4-dimethylpyrazolidin-3-one is sourced from PubChem (CID 19914346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).