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

C16H11FN2O2 — CID 1482067

IUPAC[1-(3-fluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1cnn(-c2cccc(F)c2)c1)c1ccccc1O
InChIInChI=1S/C16H11FN2O2/c17-12-4-3-5-13(8-12)19-10-11(9-18-19)16(21)14-6-1-2-7-15(14)20/h1-10,20H
InChIKeyWJYAYMAVHBTWGK-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.95
Rot. Bonds3

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

[1-(3-fluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone (PubChem CID 1482067) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is [1-(3-fluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[1-(3-fluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
PubChem CID1482067
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name[1-(3-fluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1cnn(-c2cccc(F)c2)c1)c1ccccc1O
InChIInChI=1S/C16H11FN2O2/c17-12-4-3-5-13(8-12)19-10-11(9-18-19)16(21)14-6-1-2-7-15(14)20/h1-10,20H
InChIKeyWJYAYMAVHBTWGK-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.95
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
1-(2,4-dihydroxy-6-methylphenyl)-2-(1-phenyl-1H-pyrazol-4-yl)ethanone
CID 692802
(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 6175261
2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid
CID 44417459
4-fluoro-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid
CID 44417460
(2-Hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
CID 71681514
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

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [1-(3-fluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone (CID 1482067) is [1-(3-fluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [1-(3-fluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [1-(3-fluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone is O=C(c1cnn(-c2cccc(F)c2)c1)c1ccccc1O.
What is the InChIKey of [1-(3-fluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is WJYAYMAVHBTWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-12-4-3-5-13(8-12)19-10-11(9-18-19)16(21)14-6-1-2-7-15(14)20/h1-10,20H.
What are the key properties of [1-(3-fluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
[1-(3-fluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 282.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 1482067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).