1-(3-fluorophenyl)pyrazolidin-3-one

C9H9FN2O — CID 70478682

IUPAC1-(3-fluorophenyl)pyrazolidin-3-one
SMILESO=C1CCN(c2cccc(F)c2)N1
InChIInChI=1S/C9H9FN2O/c10-7-2-1-3-8(6-7)12-5-4-9(13)11-12/h1-3,6H,4-5H2,(H,11,13)
InChIKeyXQPKWMCFHSKWAN-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.07
Rot. Bonds1

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

1-(3-fluorophenyl)pyrazolidin-3-one (PubChem CID 70478682) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 1-(3-fluorophenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)pyrazolidin-3-one
PubChem CID70478682
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name1-(3-fluorophenyl)pyrazolidin-3-one
SMILESO=C1CCN(c2cccc(F)c2)N1
InChIInChI=1S/C9H9FN2O/c10-7-2-1-3-8(6-7)12-5-4-9(13)11-12/h1-3,6H,4-5H2,(H,11,13)
InChIKeyXQPKWMCFHSKWAN-UHFFFAOYSA-N
XLogP1.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluorophenyl)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-fluorophenyl)pyrazolidin-3-one?
The IUPAC name of 1-(3-fluorophenyl)pyrazolidin-3-one (CID 70478682) is 1-(3-fluorophenyl)pyrazolidin-3-one.
What is the SMILES notation for 1-(3-fluorophenyl)pyrazolidin-3-one?
The canonical SMILES for 1-(3-fluorophenyl)pyrazolidin-3-one is O=C1CCN(c2cccc(F)c2)N1.
What is the InChIKey of 1-(3-fluorophenyl)pyrazolidin-3-one?
The InChIKey is XQPKWMCFHSKWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c10-7-2-1-3-8(6-7)12-5-4-9(13)11-12/h1-3,6H,4-5H2,(H,11,13).
What are the key properties of 1-(3-fluorophenyl)pyrazolidin-3-one?
1-(3-fluorophenyl)pyrazolidin-3-one has a molecular weight of 180.18 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)pyrazolidin-3-one is sourced from PubChem (CID 70478682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).