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

HCID 73053147
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Basic information

Standard SMILES
Cc1ccc(-n2nccc2-c2ccc3noc(-c4ccc(C(F)(F)F)cc4)c3c2)cc1
InChIKey
WPIJVMSGKAGELX-UHFFFAOYSA-N
Molecular formula
C24H16F3N3O
Average molar mass
419.4 g/mol

Names & identifiers

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

Names & synonyms

5-(2-p-Tolyl-2H-pyrazol-3-yl)-3-(4-trifluoromethyl-phenyl)-benzo[c]isoxazoleSCHEMBL15560352

Database identifiers

PubChem CID
73053147

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
43.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
31

Related reactions

1 records
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Compound notes

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