2-propan-2-yl-1H-pyrazol-3-one

C6H10N2O — CID 11378494

IUPAC2-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)n1[nH]ccc1=O
InChIInChI=1S/C6H10N2O/c1-5(2)8-6(9)3-4-7-8/h3-5,7H,1-2H3
InChIKeyFQZNIFXZODODRT-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.76
Rot. Bonds1

About 2-propan-2-yl-1H-pyrazol-3-one

2-propan-2-yl-1H-pyrazol-3-one (PubChem CID 11378494) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-propan-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-propan-2-yl-1H-pyrazol-3-one
PubChem CID11378494
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)n1[nH]ccc1=O
InChIInChI=1S/C6H10N2O/c1-5(2)8-6(9)3-4-7-8/h3-5,7H,1-2H3
InChIKeyFQZNIFXZODODRT-UHFFFAOYSA-N
XLogP0.76
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-yl-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

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-pyrazol-3-one?
The IUPAC name of 2-propan-2-yl-1H-pyrazol-3-one (CID 11378494) is 2-propan-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-propan-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-propan-2-yl-1H-pyrazol-3-one is CC(C)n1[nH]ccc1=O.
What is the InChIKey of 2-propan-2-yl-1H-pyrazol-3-one?
The InChIKey is FQZNIFXZODODRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(2)8-6(9)3-4-7-8/h3-5,7H,1-2H3.
What are the key properties of 2-propan-2-yl-1H-pyrazol-3-one?
2-propan-2-yl-1H-pyrazol-3-one has a molecular weight of 126.16 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 11378494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).