1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one
Basic information
- CAS
1005696-52-5- Standard SMILES
Cc1nn(C)c(C)c1C=CC(=O)c1cccc(OC(F)F)c1- InChIKey
WIJXPKCFSGPGPO-UHFFFAOYSA-N- Molecular formula
- C16H16F2N2O2
- Average molar mass
- 306.31 g/mol
- Monoisotopic mass
- 306.11798408
Names & identifiers
- Preferred name
- 1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one
- IUPAC
- 1-[3-(difluoromethoxy)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
Names & synonyms
1-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-en-1-oneDTXSID7011340571-[3-(Difluoromethoxy)phenyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propen-1-one1005696-52-5
Database identifiers
- CAS
1005696-52-5- PubChem CID
- 4774879
- DTXSID
DTXSID701134057
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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