Basic information
- CAS
331835-05-3- Standard SMILES
CCC1=NN(C(=O)c2ccc(O)cc2O)C(O)(C(F)(F)F)C1- InChIKey
KBQUJRSVUIYJPZ-UHFFFAOYSA-N- Molecular formula
- C13H13F3N2O4
- Average molar mass
- 318.25 g/mol
- Monoisotopic mass
- 318.08274139
Names & identifiers
- Preferred name
- 1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazoline
- IUPAC
- (2,4-dihydroxyphenyl)-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
Names & synonyms
1-(2,4-Dihydroxybenzoyl)-3-ethyl-5-trifluoromethyl-5-hydroxy-2-pyrazolineDTXSID501337489331835-05-3(2,4-Dihydroxyphenyl)[3-ethyl-4,5-dihydro-5-hydroxy-5-(trifluoromethyl)-1H-pyrazol-1-yl]methanone4-([3-Ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl)-1,3-benzenediol #
Database identifiers
- CAS
331835-05-3- PubChem CID
- 586196
- DTXSID
DTXSID501337489
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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