3-(4-Fluoro-phenyl)-5-(2-p-tolyl-2H-pyrazol-3-yl)-benzo[c]isoxazole

HCID 73053003
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Basic information

Standard SMILES
Cc1ccc(-n2nccc2-c2ccc3noc(-c4ccc(F)cc4)c3c2)cc1
InChIKey
XINMRDGXDVTLQF-UHFFFAOYSA-N
Molecular formula
C23H16FN3O
Average molar mass
369.4 g/mol

Names & identifiers

Preferred name
3-(4-Fluoro-phenyl)-5-(2-p-tolyl-2H-pyrazol-3-yl)-benzo[c]isoxazole
IUPAC
3-(4-fluorophenyl)-5-[2-(4-methylphenyl)pyrazol-3-yl]-2,1-benzoxazole

Names & synonyms

SCHEMBL17075426XINMRDGXDVTLQF-UHFFFAOYSA-N3-(4-Fluoro-phenyl)-5-(2-p-tolyl-2H-pyrazol-3-yl)-benzo[c]isoxazole

Database identifiers

PubChem CID
73053003

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
43.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
28

Related reactions

1 records
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Compound notes

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3-(4-Fluoro-phenyl)-5-(2-p-tolyl-2H-pyrazol-3-yl)-benzo[c]isoxazole (HCID 73053003)｜Huagongshe