1-(2,4-Difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde
Basic information
- CAS
618098-78-5- Standard SMILES
O=Cc1cn(-c2ccc(F)cc2F)nc1-c1ccc(F)cc1- InChIKey
JOTUGIOMOTUDII-UHFFFAOYSA-N- Molecular formula
- C16H9F3N2O
- Average molar mass
- 302.25 g/mol
- Monoisotopic mass
- 302.0666974
Names & identifiers
- Preferred name
- 1-(2,4-Difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde
- IUPAC
- 1-(2,4-difluorophenyl)-3-(4-fluorophenyl)pyrazole-4-carbaldehyde
- English name
- 1-(2,4-DIFLUOROPHENYL)-3-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
- Molecular formula
- C16H9F3N2O
- Molecular weight
- 302.25
Names & synonyms
618098-78-51-(2,4-DIFLUOROPHENYL)-3-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE1-(2,4-difluorophenyl)-3-(4-fluorophenyl)pyrazole-4-carbaldehydeMFCD05150412C16H9F3N2ODTXSID50397437AKOS024412151ST51232571SALOR-INT L320714-1EA1H-Pyrazole-4-carboxaldehyde, 1-(2,4-difluorophenyl)-3-(4-fluorophenyl)-
Database identifiers
- CAS
618098-78-5- PubChem CID
- 3857926
- DTXSID
DTXSID50397437
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 390
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