1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propan-1-one
1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | Y508-4839 |
| Compound Name: | 1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 367.26 |
| Molecular Formula: | C12 H13 F4 N5 O4 |
| Smiles: | CC(Cn1cc(cn1)[N+]([O-])=O)C(N1C(CC(C(F)F)=N1)(C(F)F)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.2006 |
| logD: | 0.2006 |
| logSw: | -0.5878 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.948 |
| InChI Key: | VTEIIEFBQVFGFU-UHFFFAOYSA-N |