Basic information
- CAS
6052-52-4- Standard SMILES
CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccs1- InChIKey
JBOUVFDJRJYKSS-NTEUORMPSA-N- Molecular formula
- C16H11F3N2OS
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 336.05441864
Names & identifiers
- Preferred name
- (4E)-5-methyl-4-(thiophen-2-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one
- IUPAC
- (4E)-5-methyl-4-(thiophen-2-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one
Names & synonyms
6052-52-4STK3758745-methyl-4-(2-thienylmethylene)-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-oneDTXSID50417402AKOS005447683(4E)-5-methyl-4-(thiophen-2-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one(4E)-5-methyl-4-(thiophen-2-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-oneBIM-0043111.P001ST50900433SR-01000226290SR-01000226290-13-methyl-4-(2-thienylmethylene)-1-[3-(trifluoromethyl)phenyl]-1,2-diazolin-5-o ne
Show more names
(4E)-5-Methyl-4-[(thiophen-2-yl)methylidene]-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
6052-52-4- PubChem CID
- 5347136
- DTXSID
DTXSID50417402
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 544
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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