Basic information
- Standard SMILES
CCOC(=O)c1c(COC)nn(-c2cccc(C(F)(F)F)c2)c1C- InChIKey
KSEMHEWMYNCVOG-UHFFFAOYSA-N- Molecular formula
- C16H17F3N2O3
- Average molar mass
- 342.31 g/mol
Names & identifiers
- Preferred name
- 3-Methoxymethyl-5-methyl-1-(3-trifluoromethyl-phenyl)-1h-pyrazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 3-(methoxymethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
Names & synonyms
3-methoxymethyl-5-methyl-1-(3-trifluoromethyl-phenyl)-1h-pyrazole-4-carboxylic acid ethyl esterSCHEMBL2197562
Database identifiers
- PubChem CID
- 67313778
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 433
Related reactions
1 records
Compound notes
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