4-fluoro-5-phenyl-1,2-dihydropyrazol-3-one

C9H7FN2O — CID 12859028

IUPAC4-fluoro-5-phenyl-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(-c2ccccc2)c1F
InChIInChI=1S/C9H7FN2O/c10-7-8(11-12-9(7)13)6-4-2-1-3-5-6/h1-5H,(H2,11,12,13)
InChIKeyOVAZVBCHIBNCOH-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.51
Rot. Bonds1

About 4-fluoro-5-phenyl-1,2-dihydropyrazol-3-one

4-fluoro-5-phenyl-1,2-dihydropyrazol-3-one (PubChem CID 12859028) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 4-fluoro-5-phenyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-fluoro-5-phenyl-1,2-dihydropyrazol-3-one
PubChem CID12859028
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name4-fluoro-5-phenyl-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(-c2ccccc2)c1F
InChIInChI=1S/C9H7FN2O/c10-7-8(11-12-9(7)13)6-4-2-1-3-5-6/h1-5H,(H2,11,12,13)
InChIKeyOVAZVBCHIBNCOH-UHFFFAOYSA-N
XLogP1.51
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-phenyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-fluoro-5-phenyl-1,2-dihydropyrazol-3-one (CID 12859028) is 4-fluoro-5-phenyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-fluoro-5-phenyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-fluoro-5-phenyl-1,2-dihydropyrazol-3-one is O=c1[nH][nH]c(-c2ccccc2)c1F.
What is the InChIKey of 4-fluoro-5-phenyl-1,2-dihydropyrazol-3-one?
The InChIKey is OVAZVBCHIBNCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c10-7-8(11-12-9(7)13)6-4-2-1-3-5-6/h1-5H,(H2,11,12,13).
What are the key properties of 4-fluoro-5-phenyl-1,2-dihydropyrazol-3-one?
4-fluoro-5-phenyl-1,2-dihydropyrazol-3-one has a molecular weight of 178.17 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-phenyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 12859028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).