Basic information
- Standard SMILES
CCOC(=O)c1cnn(-c2ccccc2)c1-c1cc(F)c(F)cc1F- InChIKey
HVDIYPNPHQDADX-UHFFFAOYSA-N- Molecular formula
- C18H13F3N2O2
- Average molar mass
- 346.3 g/mol
Names & identifiers
- Preferred name
- ethyl 1-phenyl-5-(2,4,5-trifluorophenyl)-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 1-phenyl-5-(2,4,5-trifluorophenyl)pyrazole-4-carboxylate
Names & synonyms
SCHEMBL14957025HVDIYPNPHQDADX-UHFFFAOYSA-Nethyl 1-phenyl-5-(2,4,5-trifluorophenyl)-1H-pyrazole-4-carboxylate
Database identifiers
- PubChem CID
- 86685264
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 462
Related reactions
2 records
Compound notes
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