Basic information
- Standard SMILES
CCOC(=O)c1c(F)c(C(C)(C)C)nn1C- InChIKey
UJSRRQKTHHQEHA-UHFFFAOYSA-N- Molecular formula
- C11H17FN2O2
- Average molar mass
- 228.26 g/mol
Names & identifiers
- Preferred name
- 5-tert-Butyl-4-fluoro-2-methyl-2H-pyrazole-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 3-tert-butyl-4-fluoro-1-methylpyrazole-5-carboxylate
Names & synonyms
SCHEMBL2450426UJSRRQKTHHQEHA-UHFFFAOYSA-N5-tert-Butyl-4-fluoro-2-methyl-2H-pyrazole-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 67413334
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Related reactions
6 records
Compound notes
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