2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | Y501-7905 |
| Compound Name: | 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 414.14 |
| Molecular Formula: | C11 H11 Br F3 N5 O4 |
| Smiles: | CC1CC(C(F)(F)F)(N(C(Cn2c(C)c(c(n2)[N+]([O-])=O)[Br])=O)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9574 |
| logD: | 0.9574 |
| logSw: | -0.864 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.726 |
| InChI Key: | OMPDVCAPPCFTTH-JTQLQIEISA-N |