Basic information
- Standard SMILES
COC(=O)c1c(C(F)(F)F)nn(C)c1Cl- InChIKey
NYUZQKQIFYNNNQ-UHFFFAOYSA-N- Molecular formula
- C7H6ClF3N2O2
- Average molar mass
- 242.58 g/mol
Names & identifiers
- Preferred name
- methyl 5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
- IUPAC
- methyl 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate
Names & synonyms
methyl 5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate219568-13-5MFCD04125040methyl 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylateSCHEMBL841191AKOS0159925183F-368SCS-0361892methyl5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Database identifiers
- PubChem CID
- 1473689
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
Related reactions
3 records
Compound notes
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