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

C16H10F2N2O2 — CID 46933240

IUPAC[1-(3,4-difluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1cnn(-c2ccc(F)c(F)c2)c1)c1ccccc1O
InChIInChI=1S/C16H10F2N2O2/c17-13-6-5-11(7-14(13)18)20-9-10(8-19-20)16(22)12-3-1-2-4-15(12)21/h1-9,21H
InChIKeyGXTWFRFSZQWKJD-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.09
Rot. Bonds3

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

[1-(3,4-difluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone (PubChem CID 46933240) has the molecular formula C16H10F2N2O2 and a molecular weight of 300.26 g/mol. Its IUPAC name is [1-(3,4-difluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[1-(3,4-difluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
PubChem CID46933240
Molecular FormulaC16H10F2N2O2
Molecular Weight300.26 g/mol
Exact Mass300.07
IUPAC Name[1-(3,4-difluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1cnn(-c2ccc(F)c(F)c2)c1)c1ccccc1O
InChIInChI=1S/C16H10F2N2O2/c17-13-6-5-11(7-14(13)18)20-9-10(8-19-20)16(22)12-3-1-2-4-15(12)21/h1-9,21H
InChIKeyGXTWFRFSZQWKJD-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Fluoro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone
CID 854139
2-Hydroxyphenyl 1-phenyl-1H-pyrazol-4-yl ketone
CID 688697
(5-Bromo-2-hydroxy-phenyl)-(1-phenyl-1H-pyrazol-4-yl)ketone
CID 688693
(2-Hydroxy-5-methoxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone
CID 2414358
2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid
CID 44417459
4-fluoro-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid
CID 44417460
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-phenyl-1H-pyrazol-4-yl)ethanone
CID 886358
(2-hydroxyphenyl)[1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 1481827
[1-(4-chlorophenyl)-1H-pyrazol-4-yl](2-hydroxyphenyl)methanone
CID 1481828
(2-hydroxyphenyl)[1-(4-methylphenyl)-1H-pyrazol-4-yl]methanone
CID 1481829
(1-hydroxy-2-naphthyl)[1-(4-methylphenyl)-1H-pyrazol-4-yl]methanone
CID 1481855
[5-Amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-(2-hydroxyphenyl)methanone
CID 2117655

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-difluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [1-(3,4-difluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone (CID 46933240) is [1-(3,4-difluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [1-(3,4-difluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [1-(3,4-difluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone is O=C(c1cnn(-c2ccc(F)c(F)c2)c1)c1ccccc1O.
What is the InChIKey of [1-(3,4-difluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is GXTWFRFSZQWKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O2/c17-13-6-5-11(7-14(13)18)20-9-10(8-19-20)16(22)12-3-1-2-4-15(12)21/h1-9,21H.
What are the key properties of [1-(3,4-difluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
[1-(3,4-difluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 300.26 g/mol, XLogP of 3.09, 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]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 46933240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).