4-prop-1-enyl-3-propyl-1,4-dihydropyrazol-5-one

C9H14N2O — CID 69193772

IUPAC4-prop-1-enyl-3-propyl-1,4-dihydropyrazol-5-one
SMILESCC=CC1C(=O)NN=C1CCC
InChIInChI=1S/C9H14N2O/c1-3-5-7-8(6-4-2)10-11-9(7)12/h3,5,7H,4,6H2,1-2H3,(H,11,12)
InChIKeyWPXKPHUSSAAOTM-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.46
Rot. Bonds3

About 4-prop-1-enyl-3-propyl-1,4-dihydropyrazol-5-one

4-prop-1-enyl-3-propyl-1,4-dihydropyrazol-5-one (PubChem CID 69193772) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-prop-1-enyl-3-propyl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name4-prop-1-enyl-3-propyl-1,4-dihydropyrazol-5-one
PubChem CID69193772
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-prop-1-enyl-3-propyl-1,4-dihydropyrazol-5-one
SMILESCC=CC1C(=O)NN=C1CCC
InChIInChI=1S/C9H14N2O/c1-3-5-7-8(6-4-2)10-11-9(7)12/h3,5,7H,4,6H2,1-2H3,(H,11,12)
InChIKeyWPXKPHUSSAAOTM-UHFFFAOYSA-N
XLogP1.46
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-prop-1-enyl-3-propyl-1,4-dihydropyrazol-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-prop-1-enyl-3-propyl-1,4-dihydropyrazol-5-one?
The IUPAC name of 4-prop-1-enyl-3-propyl-1,4-dihydropyrazol-5-one (CID 69193772) is 4-prop-1-enyl-3-propyl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 4-prop-1-enyl-3-propyl-1,4-dihydropyrazol-5-one?
The canonical SMILES for 4-prop-1-enyl-3-propyl-1,4-dihydropyrazol-5-one is CC=CC1C(=O)NN=C1CCC.
What is the InChIKey of 4-prop-1-enyl-3-propyl-1,4-dihydropyrazol-5-one?
The InChIKey is WPXKPHUSSAAOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-5-7-8(6-4-2)10-11-9(7)12/h3,5,7H,4,6H2,1-2H3,(H,11,12).
What are the key properties of 4-prop-1-enyl-3-propyl-1,4-dihydropyrazol-5-one?
4-prop-1-enyl-3-propyl-1,4-dihydropyrazol-5-one has a molecular weight of 166.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-enyl-3-propyl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 69193772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).