1-(3-methylphenyl)pyrazolidin-3-one

C10H12N2O — CID 19080640

IUPAC1-(3-methylphenyl)pyrazolidin-3-one
SMILESCc1cccc(N2CCC(=O)N2)c1
InChIInChI=1S/C10H12N2O/c1-8-3-2-4-9(7-8)12-6-5-10(13)11-12/h2-4,7H,5-6H2,1H3,(H,11,13)
InChIKeyBWVQIBKUGHYXLO-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.24
Rot. Bonds1

About 1-(3-methylphenyl)pyrazolidin-3-one

1-(3-methylphenyl)pyrazolidin-3-one (PubChem CID 19080640) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(3-methylphenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-(3-methylphenyl)pyrazolidin-3-one
PubChem CID19080640
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-(3-methylphenyl)pyrazolidin-3-one
SMILESCc1cccc(N2CCC(=O)N2)c1
InChIInChI=1S/C10H12N2O/c1-8-3-2-4-9(7-8)12-6-5-10(13)11-12/h2-4,7H,5-6H2,1H3,(H,11,13)
InChIKeyBWVQIBKUGHYXLO-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-methylphenyl)pyrazolidin-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-(3-methylphenyl)pyrazolidin-3-one?
The IUPAC name of 1-(3-methylphenyl)pyrazolidin-3-one (CID 19080640) is 1-(3-methylphenyl)pyrazolidin-3-one.
What is the SMILES notation for 1-(3-methylphenyl)pyrazolidin-3-one?
The canonical SMILES for 1-(3-methylphenyl)pyrazolidin-3-one is Cc1cccc(N2CCC(=O)N2)c1.
What is the InChIKey of 1-(3-methylphenyl)pyrazolidin-3-one?
The InChIKey is BWVQIBKUGHYXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8-3-2-4-9(7-8)12-6-5-10(13)11-12/h2-4,7H,5-6H2,1H3,(H,11,13).
What are the key properties of 1-(3-methylphenyl)pyrazolidin-3-one?
1-(3-methylphenyl)pyrazolidin-3-one has a molecular weight of 176.22 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)pyrazolidin-3-one is sourced from PubChem (CID 19080640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).