5-fluoro-2-phenyl-1H-pyrazol-3-one

C9H7FN2O — CID 155895443

IUPAC5-fluoro-2-phenyl-1H-pyrazol-3-one
SMILESO=c1cc(F)[nH]n1-c1ccccc1
InChIInChI=1S/C9H7FN2O/c10-8-6-9(13)12(11-8)7-4-2-1-3-5-7/h1-6,11H
InChIKeyXXCVYCDNOBLEDP-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.30
Rot. Bonds1

About 5-fluoro-2-phenyl-1H-pyrazol-3-one

5-fluoro-2-phenyl-1H-pyrazol-3-one (PubChem CID 155895443) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 5-fluoro-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-fluoro-2-phenyl-1H-pyrazol-3-one
PubChem CID155895443
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name5-fluoro-2-phenyl-1H-pyrazol-3-one
SMILESO=c1cc(F)[nH]n1-c1ccccc1
InChIInChI=1S/C9H7FN2O/c10-8-6-9(13)12(11-8)7-4-2-1-3-5-7/h1-6,11H
InChIKeyXXCVYCDNOBLEDP-UHFFFAOYSA-N
XLogP1.30
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-fluoro-2-phenyl-1H-pyrazol-3-one (CID 155895443) is 5-fluoro-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-fluoro-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-fluoro-2-phenyl-1H-pyrazol-3-one is O=c1cc(F)[nH]n1-c1ccccc1.
What is the InChIKey of 5-fluoro-2-phenyl-1H-pyrazol-3-one?
The InChIKey is XXCVYCDNOBLEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c10-8-6-9(13)12(11-8)7-4-2-1-3-5-7/h1-6,11H.
What are the key properties of 5-fluoro-2-phenyl-1H-pyrazol-3-one?
5-fluoro-2-phenyl-1H-pyrazol-3-one has a molecular weight of 178.17 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 155895443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).