1-[5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-[5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenoxyethan-1-one
1-[5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | 3852-0415 |
| Compound Name: | 1-[5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 409.32 |
| Molecular Formula: | C18 H14 F3 N3 O5 |
| Smiles: | C1C(c2ccc(cc2)[N+]([O-])=O)=NN(C(COc2ccccc2)=O)C1(C(F)(F)F)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0222 |
| logD: | 3.0222 |
| logSw: | -3.3789 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.871 |
| InChI Key: | WKOSQGYNFCSNMZ-KRWDZBQOSA-N |