(5-fluoro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone

C16H11FN2O2 — CID 854139

IUPAC(5-fluoro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)c1cc(F)ccc1O
InChIInChI=1S/C16H11FN2O2/c17-12-6-7-15(20)14(8-12)16(21)11-9-18-19(10-11)13-4-2-1-3-5-13/h1-10,20H
InChIKeyLUIKVPFJGVQNCR-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.95
Rot. Bonds3

About (5-fluoro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone

(5-fluoro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone (PubChem CID 854139) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone
PubChem CID854139
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name(5-fluoro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)c1cc(F)ccc1O
InChIInChI=1S/C16H11FN2O2/c17-12-6-7-15(20)14(8-12)16(21)11-9-18-19(10-11)13-4-2-1-3-5-13/h1-10,20H
InChIKeyLUIKVPFJGVQNCR-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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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone (CID 854139) is (5-fluoro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone is O=C(c1cnn(-c2ccccc2)c1)c1cc(F)ccc1O.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is LUIKVPFJGVQNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-12-6-7-15(20)14(8-12)16(21)11-9-18-19(10-11)13-4-2-1-3-5-13/h1-10,20H.
What are the key properties of (5-fluoro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone?
(5-fluoro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)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 (5-fluoro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 854139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).