1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propan-1-one
1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | Y508-4829 |
| Compound Name: | 1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 331.28 |
| Molecular Formula: | C12 H15 F2 N5 O4 |
| Smiles: | CC(Cn1cc(cn1)[N+]([O-])=O)C(N1C(CC(C)=N1)(C(F)F)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.1797 |
| logD: | 0.1797 |
| logSw: | -0.5876 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.121 |
| InChI Key: | HDXJMXXUVXWZSY-UHFFFAOYSA-N |