Basic information
- CAS
72730-91-7- Standard SMILES
Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1N=Nc1cccc(C(F)(F)F)c1- InChIKey
ZOUFEFCCEYFQBK-UHFFFAOYSA-N- Molecular formula
- C17H12ClF3N4O
- Average molar mass
- 380.7 g/mol
- Monoisotopic mass
- 380.0651732
Names & identifiers
- Preferred name
- CID 321122
- IUPAC
- 2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazol-3-one
Names & synonyms
NSC27045472730-91-7DTXSID90430216NSC-270454(4E)-2-(4-chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phenyl]hydrazono]pyrazol-3-one2-(4-Chlorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazol-3-one(4E)-1-(4-Chlorophenyl)-3-methyl-1H-pyrazole-4,5-dione 4-{[3-(trifluoromethyl)phenyl]hydrazone}(4E)-2-(4-Chlorophenyl)-5-methyl-4-{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
72730-91-7- PubChem CID
- 321122
- DTXSID
DTXSID90430216
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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