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

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Related Compounds

3,5-bis[3-(3-fluorophenyl)phenyl]pyridine
CID 144604637
3-(3-fluorophenyl)cyclohexa-2,4-dien-1-one
CID 141217171
4-(3-fluorophenyl)imidazol-2-one
CID 130136379
2-(3-fluorophenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978440
3-chloro-5-(3-fluorophenyl)-1H-pyridin-4-one
CID 46311956
4-(3-fluorophenyl)pyrazol-3-one
CID 118538521
1,3-difluorobenzene;1,4-difluorobenzene
CID 159873588
5-(3-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79438996
3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 46312799
4-(3-fluorophenyl)-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-1-one
CID 66966388
2-fluoro-3,5-bis(3-fluorophenyl)pyridine
CID 46313566
2-(3-fluorophenyl)-5-hydroxy-1H-pyrimidin-6-one
CID 118714566

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).