Basic information
- Standard SMILES
CCOC(=O)c1cn(-c2ccc(F)cc2)nc1C- InChIKey
OSXDMMQHDQQSEQ-UHFFFAOYSA-N- Molecular formula
- C13H13FN2O2
- Average molar mass
- 248.25 g/mol
Names & identifiers
- Preferred name
- Ethyl 1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
- IUPAC
- ethyl 1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
Names & synonyms
SCHEMBL6052295OSXDMMQHDQQSEQ-UHFFFAOYSA-Nethyl 1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
Database identifiers
- PubChem CID
- 22228060
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
- 18
- Formal charge
- 0
- Complexity
- 293
Related reactions
3 records
Compound notes
Loading…