Basic information
- Standard SMILES
Cc1c(Cl)cccc1-n1nccc1-c1nn(-c2cccc(OC(F)(F)F)c2)ccc1=O- InChIKey
ARESKYBIOCAKBN-UHFFFAOYSA-N- Molecular formula
- C21H14ClF3N4O2
- Average molar mass
- 446.8 g/mol
Names & identifiers
- Preferred name
- 3-[2-(3-Chloro-2-methyl-phenyl)-2H-pyrazol-3-yl]-1-(3-trifluoromethoxy-phenyl)-1H-pyridazin-4-one
- IUPAC
- 3-[2-(3-chloro-2-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one
Names & synonyms
3-[2-(3-Chloro-2-methyl-phenyl)-2H-pyrazol-3-yl]-1-(3-trifluoromethoxy-phenyl)-1H-pyridazin-4-oneSCHEMBL2751799
Database identifiers
- PubChem CID
- 46220044
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 732
Related reactions
1 records
Compound notes
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