1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitro-1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitro-1H-pyrazol-1-yl)propan-1-one
1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitro-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | Y503-1228 |
| Compound Name: | 1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitro-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 321.21 |
| Molecular Formula: | C10 H10 F3 N5 O4 |
| Smiles: | CC(C(N1C(CC=N1)(C(F)(F)F)O)=O)n1cc(cn1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.0476 |
| logD: | -0.0476 |
| logSw: | -0.4849 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.306 |
| InChI Key: | HNOSDQXBWYMKGH-UHFFFAOYSA-N |