4-(2-hydroxyethyl)-2,3-dimethyl-1H-pyrazol-5-one

C7H12N2O2 — CID 10558851

IUPAC4-(2-hydroxyethyl)-2,3-dimethyl-1H-pyrazol-5-one
SMILESCc1c(CCO)c(=O)[nH]n1C
InChIInChI=1S/C7H12N2O2/c1-5-6(3-4-10)7(11)8-9(5)2/h10H,3-4H2,1-2H3,(H,8,11)
InChIKeyWGFOSJXJBLLTRI-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.44
Rot. Bonds2

About 4-(2-hydroxyethyl)-2,3-dimethyl-1H-pyrazol-5-one

4-(2-hydroxyethyl)-2,3-dimethyl-1H-pyrazol-5-one (PubChem CID 10558851) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2,3-dimethyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2,3-dimethyl-1H-pyrazol-5-one
PubChem CID10558851
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name4-(2-hydroxyethyl)-2,3-dimethyl-1H-pyrazol-5-one
SMILESCc1c(CCO)c(=O)[nH]n1C
InChIInChI=1S/C7H12N2O2/c1-5-6(3-4-10)7(11)8-9(5)2/h10H,3-4H2,1-2H3,(H,8,11)
InChIKeyWGFOSJXJBLLTRI-UHFFFAOYSA-N
XLogP-0.44
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-hydroxyethyl)-2,3-dimethyl-1H-pyrazol-5-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 4-(2-hydroxyethyl)-2,3-dimethyl-1H-pyrazol-5-one?
The IUPAC name of 4-(2-hydroxyethyl)-2,3-dimethyl-1H-pyrazol-5-one (CID 10558851) is 4-(2-hydroxyethyl)-2,3-dimethyl-1H-pyrazol-5-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-2,3-dimethyl-1H-pyrazol-5-one?
The canonical SMILES for 4-(2-hydroxyethyl)-2,3-dimethyl-1H-pyrazol-5-one is Cc1c(CCO)c(=O)[nH]n1C.
What is the InChIKey of 4-(2-hydroxyethyl)-2,3-dimethyl-1H-pyrazol-5-one?
The InChIKey is WGFOSJXJBLLTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5-6(3-4-10)7(11)8-9(5)2/h10H,3-4H2,1-2H3,(H,8,11).
What are the key properties of 4-(2-hydroxyethyl)-2,3-dimethyl-1H-pyrazol-5-one?
4-(2-hydroxyethyl)-2,3-dimethyl-1H-pyrazol-5-one has a molecular weight of 156.18 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-2,3-dimethyl-1H-pyrazol-5-one is sourced from PubChem (CID 10558851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).