Basic information
- Standard SMILES
COC(=O)C(=C1C(=O)N(c2cccc(OC)c2)N=C1C)C(F)(F)F- InChIKey
NESJBJUFDGFKKH-UHFFFAOYSA-N- Molecular formula
- C15H13F3N2O4
- Average molar mass
- 342.27 g/mol
Names & identifiers
- Preferred name
- 2-[1,5-dihydro-1-(3-methoxyphenyl)-3-methyl-5-oxo-4H-pyrazol-4-ylidene]-3,3,3-trifluoro-propanoic acid methyl ester
- IUPAC
- methyl 3,3,3-trifluoro-2-[1-(3-methoxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]propanoate
Names & synonyms
2-[1,5-dihydro-1-(3-methoxyphenyl)-3-methyl-5-oxo-4H-pyrazol-4-ylidene]-3,3,3-trifluoro-propanoic acid methyl esterSCHEMBL486415
Database identifiers
- PubChem CID
- 66701548
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 598
Related reactions
1 records
Compound notes
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