2,2-Dimethyl-1-[4-(4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-1-yl]-1-propanone
Basic information
- CAS
396129-67-2- Standard SMILES
CC(C)(C)C(=O)n1cc(-c2ccncc2)c(-c2ccc(C(F)(F)F)cc2)n1- InChIKey
IGOJEOUJNFMELU-UHFFFAOYSA-N- Molecular formula
- C20H18F3N3O
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.14019669
Names & identifiers
- Preferred name
- 2,2-Dimethyl-1-[4-(4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-1-yl]-1-propanone
- IUPAC
- 2,2-dimethyl-1-[4-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-one
Names & synonyms
Peakdale1_000514HMS519H08DTXSID7011222122,2-Dimethyl-1-[4-(4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-1-yl]-1-propanone396129-67-22,2-Dimethyl-1-{4-(pyridin-4-yl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-1-yl}propan-1-one
Database identifiers
- CAS
396129-67-2- PubChem CID
- 4164643
- DTXSID
DTXSID701122212
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 518
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Compound notes
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