3-(3-fluorophenyl)-1,5-dihydropyrazol-4-one

C9H7FN2O — CID 174470166

IUPAC3-(3-fluorophenyl)-1,5-dihydropyrazol-4-one
SMILESO=C1CNN=C1c1cccc(F)c1
InChIInChI=1S/C9H7FN2O/c10-7-3-1-2-6(4-7)9-8(13)5-11-12-9/h1-4,11H,5H2
InChIKeyDAPUCFAUMVZYKI-UHFFFAOYSA-N
MW178.17 g/mol
LogP0.70
Rot. Bonds1

About 3-(3-fluorophenyl)-1,5-dihydropyrazol-4-one

3-(3-fluorophenyl)-1,5-dihydropyrazol-4-one (PubChem CID 174470166) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1,5-dihydropyrazol-4-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1,5-dihydropyrazol-4-one
PubChem CID174470166
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name3-(3-fluorophenyl)-1,5-dihydropyrazol-4-one
SMILESO=C1CNN=C1c1cccc(F)c1
InChIInChI=1S/C9H7FN2O/c10-7-3-1-2-6(4-7)9-8(13)5-11-12-9/h1-4,11H,5H2
InChIKeyDAPUCFAUMVZYKI-UHFFFAOYSA-N
XLogP0.70
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluorophenyl)-1,5-dihydropyrazol-4-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 3-(3-fluorophenyl)-1,5-dihydropyrazol-4-one?
The IUPAC name of 3-(3-fluorophenyl)-1,5-dihydropyrazol-4-one (CID 174470166) is 3-(3-fluorophenyl)-1,5-dihydropyrazol-4-one.
What is the SMILES notation for 3-(3-fluorophenyl)-1,5-dihydropyrazol-4-one?
The canonical SMILES for 3-(3-fluorophenyl)-1,5-dihydropyrazol-4-one is O=C1CNN=C1c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-1,5-dihydropyrazol-4-one?
The InChIKey is DAPUCFAUMVZYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c10-7-3-1-2-6(4-7)9-8(13)5-11-12-9/h1-4,11H,5H2.
What are the key properties of 3-(3-fluorophenyl)-1,5-dihydropyrazol-4-one?
3-(3-fluorophenyl)-1,5-dihydropyrazol-4-one has a molecular weight of 178.17 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1,5-dihydropyrazol-4-one is sourced from PubChem (CID 174470166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).