1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)propan-1-one
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | Y502-3086 |
| Compound Name: | 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 349.27 |
| Molecular Formula: | C12 H14 F3 N5 O4 |
| Smiles: | CC(C(N1C(CC(C)=N1)(C(F)(F)F)O)=O)n1c(C)cc(n1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6282 |
| logD: | 0.6282 |
| logSw: | -1.0274 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.097 |
| InChI Key: | JSNWRVSANOKHDQ-UHFFFAOYSA-N |