2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | Y502-8694 |
| Compound Name: | 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 335.24 |
| Molecular Formula: | C11 H12 F3 N5 O4 |
| Smiles: | Cc1c(c(C)n(CC(N2C(CC=N2)(C(F)(F)F)O)=O)n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.1363 |
| logD: | -0.1363 |
| logSw: | -0.5087 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.149 |
| InChI Key: | UALGIVRSOPCPDF-JTQLQIEISA-N |