Basic information
- CAS
72730-90-6- Standard SMILES
Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C(F)(F)F)c1- InChIKey
RVJZNCLTVYTUHR-UHFFFAOYSA-N- Molecular formula
- C17H13F3N4O
- Average molar mass
- 346.31 g/mol
- Monoisotopic mass
- 346.10414554
Names & identifiers
- Preferred name
- (4E)-5-methyl-2-phenyl-4-{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}-2,4-dihydro-3H-pyrazol-3-one
- IUPAC
- 5-methyl-2-phenyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazol-3-one
Names & synonyms
72730-90-6NSC270453(4E)-5-methyl-2-phenyl-4-{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}-2,4-dihydro-3H-pyrazol-3-oneDTXSID10420694STK868974AKOS002161970AKOS004908460NSC-270453ST102657(4E)-3-Methyl-1-phenyl-1H-pyrazole-4,5-dione 4-{[3-(trifluoromethyl)phenyl]hydrazone}(4E)-5-methyl-2-phenyl-4-[[3-(trifluoromethyl)phenyl]hydrazono]pyrazol-3-one(4Z)-5-METHYL-2-PHENYL-4-{2-[3-(TRIFLUOROMETHYL)PHENYL]HYDRAZIN-1-YLIDENE}PYRAZOL-3-ONE
Database identifiers
- CAS
72730-90-6- PubChem CID
- 321121
- DTXSID
DTXSID10420694
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 567
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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