5-[2-(2,4-Difluoro-phenyl)-2H-pyrazol-3-yl]-3-(3-fluoro-phenyl)-benzo[c]isoxazole

HCID 73053296
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Basic information

Standard SMILES
Fc1cccc(-c2onc3ccc(-c4ccnn4-c4ccc(F)cc4F)cc23)c1
InChIKey
ZSKLKFFFLDVGAV-UHFFFAOYSA-N
Molecular formula
C22H12F3N3O
Average molar mass
391.3 g/mol

Names & identifiers

Preferred name
5-[2-(2,4-Difluoro-phenyl)-2H-pyrazol-3-yl]-3-(3-fluoro-phenyl)-benzo[c]isoxazole
IUPAC
5-[2-(2,4-difluorophenyl)pyrazol-3-yl]-3-(3-fluorophenyl)-2,1-benzoxazole

Names & synonyms

SCHEMBL17075431ZSKLKFFFLDVGAV-UHFFFAOYSA-N5-[2-(2,4-Difluoro-phenyl)-2H-pyrazol-3-yl]-3-(3-fluoro-phenyl)-benzo[c]isoxazole

Database identifiers

PubChem CID
73053296

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
43.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
29

Related reactions

1 records
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Compound notes

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