Basic information
- Standard SMILES
CCOC(=O)c1c(-c2ccncc2)nn(-c2cccc(OC(F)(F)F)c2)c1C1CC1- InChIKey
WITZTRPAZPARMD-UHFFFAOYSA-N- Molecular formula
- C21H18F3N3O3
- Average molar mass
- 417.4 g/mol
Names & identifiers
- Preferred name
- 5-Cyclopropyl-3-pyridin-4-yl-1-(3-trifluoromethoxy-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 5-cyclopropyl-3-pyridin-4-yl-1-[3-(trifluoromethoxy)phenyl]pyrazole-4-carboxylate
Names & synonyms
5-Cyclopropyl-3-pyridin-4-yl-1-(3-trifluoromethoxy-phenyl)-1H-pyrazole-4-carboxylic acid ethyl esterSCHEMBL2200842
Database identifiers
- PubChem CID
- 67314926
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 596
Related reactions
4 records
Compound notes
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