(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one

C24H17FN2O2 — CID 24813410

IUPAC(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1O
InChIInChI=1S/C24H17FN2O2/c25-19-13-10-17(11-14-19)24-18(16-27(26-24)20-6-2-1-3-7-20)12-15-23(29)21-8-4-5-9-22(21)28/h1-16,28H/b15-12+
InChIKeyJLGWNXLTYWLHQZ-NTCAYCPXSA-N
MW384.41 g/mol
LogP5.28
Rot. Bonds5

About (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one

(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one (PubChem CID 24813410) has the molecular formula C24H17FN2O2 and a molecular weight of 384.41 g/mol. Its IUPAC name is (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one
PubChem CID24813410
Molecular FormulaC24H17FN2O2
Molecular Weight384.41 g/mol
Exact Mass384.13
IUPAC Name(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1O
InChIInChI=1S/C24H17FN2O2/c25-19-13-10-17(11-14-19)24-18(16-27(26-24)20-6-2-1-3-7-20)12-15-23(29)21-8-4-5-9-22(21)28/h1-16,28H/b15-12+
InChIKeyJLGWNXLTYWLHQZ-NTCAYCPXSA-N
XLogP5.28
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.41
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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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
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
(3-(1H-pyrazol-1-yl)phenyl)(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 24967131
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
[3-(Dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]methanone
CID 2999309

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one (CID 24813410) is (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one is O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1O.
What is the InChIKey of (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is JLGWNXLTYWLHQZ-NTCAYCPXSA-N. The full InChI is InChI=1S/C24H17FN2O2/c25-19-13-10-17(11-14-19)24-18(16-27(26-24)20-6-2-1-3-7-20)12-15-23(29)21-8-4-5-9-22(21)28/h1-16,28H/b15-12+.
What are the key properties of (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one?
(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 384.41 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 24813410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).