(Z)-1-(4-fluorophenyl)-3-phenyl-2-pyrazol-1-ylprop-2-en-1-one

C18H13FN2O — CID 178068038

IUPAC(Z)-1-(4-fluorophenyl)-3-phenyl-2-pyrazol-1-ylprop-2-en-1-one
SMILESO=C(/C(=C/c1ccccc1)n1cccn1)c1ccc(F)cc1
InChIInChI=1S/C18H13FN2O/c19-16-9-7-15(8-10-16)18(22)17(21-12-4-11-20-21)13-14-5-2-1-3-6-14/h1-13H/b17-13-
InChIKeyPIBQWVQOGNODCU-LGMDPLHJSA-N
MW292.31 g/mol
LogP3.90
Rot. Bonds4

About (Z)-1-(4-fluorophenyl)-3-phenyl-2-pyrazol-1-ylprop-2-en-1-one

(Z)-1-(4-fluorophenyl)-3-phenyl-2-pyrazol-1-ylprop-2-en-1-one (PubChem CID 178068038) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is (Z)-1-(4-fluorophenyl)-3-phenyl-2-pyrazol-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-fluorophenyl)-3-phenyl-2-pyrazol-1-ylprop-2-en-1-one
PubChem CID178068038
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name(Z)-1-(4-fluorophenyl)-3-phenyl-2-pyrazol-1-ylprop-2-en-1-one
SMILESO=C(/C(=C/c1ccccc1)n1cccn1)c1ccc(F)cc1
InChIInChI=1S/C18H13FN2O/c19-16-9-7-15(8-10-16)18(22)17(21-12-4-11-20-21)13-14-5-2-1-3-6-14/h1-13H/b17-13-
InChIKeyPIBQWVQOGNODCU-LGMDPLHJSA-N
XLogP3.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.90
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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Related Compounds

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(1Z)-1-phenyl-2-pyrazol-1-ylhepta-1,6-dien-3-one
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(Z)-1-phenyl-2-pyrazol-1-yloct-1-en-3-one
CID 178068014
(E)-4-[dimethyl(oxo)-λ6-sulfanylidene]-2,2-dimethyl-6-phenyl-5-pyrazol-1-ylhex-5-en-3-one
CID 170854744
(E)-3-(4-fluorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5388476
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CID 90719233
N-(4-fluorophenyl)pyrazole-1-carboxamide
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1-(4-fluoro-2-pyrrolidin-1-ylphenyl)-3-phenyl-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
CID 123544967
4-(4-fluorophenoxy)-1-pyrazol-1-ylbutan-1-one
CID 110464768
2-benzoyl-3-(4-pyrazol-1-ylphenyl)prop-2-enenitrile
CID 68689114
2-[1-(dimethylamino)-3-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]isoindole-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-fluorophenyl)-3-phenyl-2-pyrazol-1-ylprop-2-en-1-one?
The IUPAC name of (Z)-1-(4-fluorophenyl)-3-phenyl-2-pyrazol-1-ylprop-2-en-1-one (CID 178068038) is (Z)-1-(4-fluorophenyl)-3-phenyl-2-pyrazol-1-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-fluorophenyl)-3-phenyl-2-pyrazol-1-ylprop-2-en-1-one?
The canonical SMILES for (Z)-1-(4-fluorophenyl)-3-phenyl-2-pyrazol-1-ylprop-2-en-1-one is O=C(/C(=C/c1ccccc1)n1cccn1)c1ccc(F)cc1.
What is the InChIKey of (Z)-1-(4-fluorophenyl)-3-phenyl-2-pyrazol-1-ylprop-2-en-1-one?
The InChIKey is PIBQWVQOGNODCU-LGMDPLHJSA-N. The full InChI is InChI=1S/C18H13FN2O/c19-16-9-7-15(8-10-16)18(22)17(21-12-4-11-20-21)13-14-5-2-1-3-6-14/h1-13H/b17-13-.
What are the key properties of (Z)-1-(4-fluorophenyl)-3-phenyl-2-pyrazol-1-ylprop-2-en-1-one?
(Z)-1-(4-fluorophenyl)-3-phenyl-2-pyrazol-1-ylprop-2-en-1-one has a molecular weight of 292.31 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-fluorophenyl)-3-phenyl-2-pyrazol-1-ylprop-2-en-1-one is sourced from PubChem (CID 178068038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).