Basic information
- Standard SMILES
Cc1nn(-c2ccc(OC(F)(F)F)cc2)c(C2CC2)c1C(=O)O- InChIKey
NFHKXLXPUMKCIJ-UHFFFAOYSA-N- Molecular formula
- C15H13F3N2O3
- Average molar mass
- 326.27 g/mol
Names & identifiers
- Preferred name
- 5-Cyclopropyl-3-methyl-1-(4-trifluoromethoxy-phenyl)-1H-pyrazole-4-carboxylic acid
- IUPAC
- 5-cyclopropyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid
Names & synonyms
5-Cyclopropyl-3-methyl-1-(4-trifluoromethoxy-phenyl)-1H-pyrazole-4-carboxylic acidSCHEMBL2200520
Database identifiers
- PubChem CID
- 67314804
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 448
Related reactions
3 records
Compound notes
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