5-cyclopropyl-2-methyl-1H-pyrazol-3-one

C7H10N2O — CID 15452081

IUPAC5-cyclopropyl-2-methyl-1H-pyrazol-3-one
SMILESCn1[nH]c(C2CC2)cc1=O
InChIInChI=1S/C7H10N2O/c1-9-7(10)4-6(8-9)5-2-3-5/h4-5,8H,2-3H2,1H3
InChIKeyDFMGFFMFDKIPBF-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.59
Rot. Bonds1

About 5-cyclopropyl-2-methyl-1H-pyrazol-3-one

5-cyclopropyl-2-methyl-1H-pyrazol-3-one (PubChem CID 15452081) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-cyclopropyl-2-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-methyl-1H-pyrazol-3-one
PubChem CID15452081
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name5-cyclopropyl-2-methyl-1H-pyrazol-3-one
SMILESCn1[nH]c(C2CC2)cc1=O
InChIInChI=1S/C7H10N2O/c1-9-7(10)4-6(8-9)5-2-3-5/h4-5,8H,2-3H2,1H3
InChIKeyDFMGFFMFDKIPBF-UHFFFAOYSA-N
XLogP0.59
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-cyclopropyl-2-methyl-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 5-cyclopropyl-2-methyl-1H-pyrazol-3-one?
The IUPAC name of 5-cyclopropyl-2-methyl-1H-pyrazol-3-one (CID 15452081) is 5-cyclopropyl-2-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-2-methyl-1H-pyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-2-methyl-1H-pyrazol-3-one is Cn1[nH]c(C2CC2)cc1=O.
What is the InChIKey of 5-cyclopropyl-2-methyl-1H-pyrazol-3-one?
The InChIKey is DFMGFFMFDKIPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-9-7(10)4-6(8-9)5-2-3-5/h4-5,8H,2-3H2,1H3.
What are the key properties of 5-cyclopropyl-2-methyl-1H-pyrazol-3-one?
5-cyclopropyl-2-methyl-1H-pyrazol-3-one has a molecular weight of 138.17 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 15452081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).