Ethyl 4-chloro-3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazole-5-carboxylate
Basic information
- CAS
1020724-66-6- Standard SMILES
CCOC(=O)c1c(Cl)c(CC)nn1-c1ccc(C(F)(F)F)cc1- InChIKey
UYHHKMRHJLEIHD-UHFFFAOYSA-N- Molecular formula
- C15H14ClF3N2O2
- Average molar mass
- 346.73 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-chloro-3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazole-5-carboxylate
- IUPAC
- ethyl 4-chloro-3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazole-5-carboxylate
- English name
- 4-Chloro-3-ethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid ethyl ester
- Molecular formula
- C15H14ClF3N2O2
- Molecular weight
- 346.7320696
Names & synonyms
Ethyl 4-chloro-3-ethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate4-Chloro-3-ethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid ethyl ester
Database identifiers
- CAS
1020724-66-6
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 414
Physicochemical properties
- Boiling point
- 400.4 · 400.4±45.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- pka
- -3.98 · -3.98±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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