Basic information
- Standard SMILES
CCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)OC(C)(C)C- InChIKey
LVNXZEAQCYOILL-UHFFFAOYSA-N- Molecular formula
- C17H21FN2O2
- Average molar mass
- 304.36 g/mol
Names & identifiers
- Preferred name
- 3-ethyl-1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid tert-butylester
- IUPAC
- tert-butyl 3-ethyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxylate
Names & synonyms
SCHEMBL12264894LVNXZEAQCYOILL-UHFFFAOYSA-N3-ethyl-1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid tert-butylester
Database identifiers
- PubChem CID
- 53389674
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 389
Related reactions
1 records
Compound notes
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