Ethyl 5-(4-bromo-2-fluorophenyl)-1-[(3RS,4SR)-4-hydroxytetrahydrofuran-3-yl]-1H-pyrazole-4-carboxylate
Basic information
- Standard SMILES
CCOC(=O)c1cnn(C2COCC2O)c1-c1ccc(Br)cc1F- InChIKey
IFCVBMXKXBJRAG-UHFFFAOYSA-N- Molecular formula
- C16H16BrFN2O4
- Average molar mass
- 399.21 g/mol
- Monoisotopic mass
- 398.02775
Names & identifiers
- Preferred name
- Ethyl 5-(4-bromo-2-fluorophenyl)-1-[(3RS,4SR)-4-hydroxytetrahydrofuran-3-yl]-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 5-(4-bromo-2-fluorophenyl)-1-(4-hydroxyoxolan-3-yl)pyrazole-4-carboxylate
Names & synonyms
SCHEMBL14990141IFCVBMXKXBJRAG-UHFFFAOYSA-NEthyl 5-(4-bromo-2-fluorophenyl)-1-[(3RS,4SR)-4-hydroxytetrahydrofuran-3-yl]-1H-pyrazole-4-carboxylate
Database identifiers
- PubChem CID
- 86686403
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 458
Related reactions
2 records
Compound notes
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