[1-(3,4-difluorophenyl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone

C16H9F3N2O2 — CID 46933239

IUPAC[1-(3,4-difluorophenyl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone
SMILESO=C(c1cnn(-c2ccc(F)c(F)c2)c1)c1cc(F)ccc1O
InChIInChI=1S/C16H9F3N2O2/c17-10-1-4-15(22)12(5-10)16(23)9-7-20-21(8-9)11-2-3-13(18)14(19)6-11/h1-8,22H
InChIKeyZQCRFFSCEIRRSG-UHFFFAOYSA-N
MW318.25 g/mol
LogP3.23
Rot. Bonds3

About [1-(3,4-difluorophenyl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone

[1-(3,4-difluorophenyl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone (PubChem CID 46933239) has the molecular formula C16H9F3N2O2 and a molecular weight of 318.25 g/mol. Its IUPAC name is [1-(3,4-difluorophenyl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[1-(3,4-difluorophenyl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone
PubChem CID46933239
Molecular FormulaC16H9F3N2O2
Molecular Weight318.25 g/mol
Exact Mass318.06
IUPAC Name[1-(3,4-difluorophenyl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone
SMILESO=C(c1cnn(-c2ccc(F)c(F)c2)c1)c1cc(F)ccc1O
InChIInChI=1S/C16H9F3N2O2/c17-10-1-4-15(22)12(5-10)16(23)9-7-20-21(8-9)11-2-3-13(18)14(19)6-11/h1-8,22H
InChIKeyZQCRFFSCEIRRSG-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-difluorophenyl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of [1-(3,4-difluorophenyl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone (CID 46933239) is [1-(3,4-difluorophenyl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for [1-(3,4-difluorophenyl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for [1-(3,4-difluorophenyl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone is O=C(c1cnn(-c2ccc(F)c(F)c2)c1)c1cc(F)ccc1O.
What is the InChIKey of [1-(3,4-difluorophenyl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is ZQCRFFSCEIRRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O2/c17-10-1-4-15(22)12(5-10)16(23)9-7-20-21(8-9)11-2-3-13(18)14(19)6-11/h1-8,22H.
What are the key properties of [1-(3,4-difluorophenyl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
[1-(3,4-difluorophenyl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 318.25 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-difluorophenyl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 46933239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).