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

C24H16F2N2O — CID 46703358

IUPAC(E)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H16F2N2O/c25-20-11-6-17(7-12-20)23(29)15-10-19-16-28(22-4-2-1-3-5-22)27-24(19)18-8-13-21(26)14-9-18/h1-16H/b15-10+
InChIKeyJVGKEHYHYGZVLF-XNTDXEJSSA-N
MW386.40 g/mol
LogP5.71
Rot. Bonds5

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

(E)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one (PubChem CID 46703358) has the molecular formula C24H16F2N2O and a molecular weight of 386.40 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
PubChem CID46703358
Molecular FormulaC24H16F2N2O
Molecular Weight386.40 g/mol
Exact Mass386.12
IUPAC Name(E)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H16F2N2O/c25-20-11-6-17(7-12-20)23(29)15-10-19-16-28(22-4-2-1-3-5-22)27-24(19)18-8-13-21(26)14-9-18/h1-16H/b15-10+
InChIKeyJVGKEHYHYGZVLF-XNTDXEJSSA-N
XLogP5.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.40
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one?
The IUPAC name of (E)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one (CID 46703358) is (E)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one is O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of (E)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one?
The InChIKey is JVGKEHYHYGZVLF-XNTDXEJSSA-N. The full InChI is InChI=1S/C24H16F2N2O/c25-20-11-6-17(7-12-20)23(29)15-10-19-16-28(22-4-2-1-3-5-22)27-24(19)18-8-13-21(26)14-9-18/h1-16H/b15-10+.
What are the key properties of (E)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one?
(E)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one has a molecular weight of 386.40 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one is sourced from PubChem (CID 46703358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).