1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-methyl-2-(4-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-methyl-2-(4-nitro-1H-pyrazol-1-yl)propan-1-one
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | Y500-3905 |
| Compound Name: | 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 349.27 |
| Molecular Formula: | C12 H14 F3 N5 O4 |
| Smiles: | CC1CC(C(F)(F)F)(N(C(C(C)(C)n2cc(cn2)[N+]([O-])=O)=O)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.987 |
| logD: | 0.9869 |
| logSw: | -1.2717 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.289 |
| InChI Key: | AOMSKJNRMHAZPM-NSHDSACASA-N |