[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-nitrophenyl)methanone
Chemical Structure Depiction of
[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-nitrophenyl)methanone
[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | 4607-0261 |
| Compound Name: | [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-nitrophenyl)methanone |
| Molecular Weight: | 331.25 |
| Molecular Formula: | C13 H12 F3 N3 O4 |
| Smiles: | CCC1CC(C(F)(F)F)(N(C(c2cccc(c2)[N+]([O-])=O)=O)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3589 |
| logD: | 2.3589 |
| logSw: | -2.3615 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.075 |
| InChI Key: | HTKICTPSGNSXBV-LBPRGKRZSA-N |