2-phenyl-5-propyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazol-3-one
Basic information
- CAS
72730-84-8- Standard SMILES
CCCc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C(F)(F)F)c1- InChIKey
VVYRTALXZMEMDL-UHFFFAOYSA-N- Molecular formula
- C19H17F3N4O
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.13544566
Names & identifiers
- Preferred name
- 2-phenyl-5-propyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazol-3-one
- IUPAC
- 2-phenyl-5-propyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazol-3-one
Names & synonyms
NSC27045572730-84-8DTXSID50430217NSC-270455(4E)-2-Phenyl-5-propyl-4-{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
72730-84-8- PubChem CID
- 321123
- DTXSID
DTXSID50430217
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 596
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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