Basic information
- Standard SMILES
Fc1ccc(-n2nccc2-c2ccc3noc(-c4ccc(Cl)cc4)c3c2)cc1- InChIKey
VCVOIIDVFVQYOP-UHFFFAOYSA-N- Molecular formula
- C22H13ClFN3O
- Average molar mass
- 389.8 g/mol
- Monoisotopic mass
- 389.0731179
Names & identifiers
- Preferred name
- 3-(4-Chloro-phenyl)-5-[2-(4-fluoro-phenyl)-2H-pyrazol-3-yl]-benzo[c]isoxazole
- IUPAC
- 3-(4-chlorophenyl)-5-[2-(4-fluorophenyl)pyrazol-3-yl]-2,1-benzoxazole
Names & synonyms
SCHEMBL15556015VCVOIIDVFVQYOP-UHFFFAOYSA-N3-(4-Chloro-phenyl)-5-[2-(4-fluoro-phenyl)-2H-pyrazol-3-yl]-benzo[c]isoxazole
Database identifiers
- PubChem CID
- 73053001
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 524
Related reactions
1 records
Compound notes
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