4-(3-fluorophenyl)pyrazol-3-one

C9H5FN2O — CID 118538521

IUPAC4-(3-fluorophenyl)pyrazol-3-one
SMILESO=C1N=NC=C1c1cccc(F)c1
InChIInChI=1S/C9H5FN2O/c10-7-3-1-2-6(4-7)8-5-11-12-9(8)13/h1-5H
InChIKeyBMGGHTUXYYPOAA-UHFFFAOYSA-N
MW176.15 g/mol
LogP2.16
Rot. Bonds1

About 4-(3-fluorophenyl)pyrazol-3-one

4-(3-fluorophenyl)pyrazol-3-one (PubChem CID 118538521) has the molecular formula C9H5FN2O and a molecular weight of 176.15 g/mol. Its IUPAC name is 4-(3-fluorophenyl)pyrazol-3-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)pyrazol-3-one
PubChem CID118538521
Molecular FormulaC9H5FN2O
Molecular Weight176.15 g/mol
Exact Mass176.04
IUPAC Name4-(3-fluorophenyl)pyrazol-3-one
SMILESO=C1N=NC=C1c1cccc(F)c1
InChIInChI=1S/C9H5FN2O/c10-7-3-1-2-6(4-7)8-5-11-12-9(8)13/h1-5H
InChIKeyBMGGHTUXYYPOAA-UHFFFAOYSA-N
XLogP2.16
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-fluorophenyl)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

Related Compounds

1-fluoro-3-(3-fluorophenyl)-5-methylbenzene
CID 46313952
4-(3-fluorophenyl)-2-methyl-2H-furan-5-one
CID 506543
4-(3-fluorophenyl)imidazol-2-one
CID 130136379
3,5-bis[3-(3-fluorophenyl)phenyl]pyridine
CID 144604637
3-(3-fluorophenyl)-1,5-dihydropyrazol-4-one
CID 174470166
2-fluoro-3,5-bis(3-fluorophenyl)pyridine
CID 46313566
1-(3-fluorophenyl)-3,5-diphenylbenzene
CID 141411457
1-fluoro-3-phenylbenzene;phosphane;hydrochloride
CID 175120364
4-(3-fluorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137000859
1-(3-fluorophenyl)-3-iodo-5-methylbenzene
CID 46312887
2,3-bis(3-fluorophenyl)quinoxaline
CID 5127743
3-(3-fluorophenyl)thiophene
CID 7010737

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)pyrazol-3-one?
The IUPAC name of 4-(3-fluorophenyl)pyrazol-3-one (CID 118538521) is 4-(3-fluorophenyl)pyrazol-3-one.
What is the SMILES notation for 4-(3-fluorophenyl)pyrazol-3-one?
The canonical SMILES for 4-(3-fluorophenyl)pyrazol-3-one is O=C1N=NC=C1c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)pyrazol-3-one?
The InChIKey is BMGGHTUXYYPOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O/c10-7-3-1-2-6(4-7)8-5-11-12-9(8)13/h1-5H.
What are the key properties of 4-(3-fluorophenyl)pyrazol-3-one?
4-(3-fluorophenyl)pyrazol-3-one has a molecular weight of 176.15 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)pyrazol-3-one is sourced from PubChem (CID 118538521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).