1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-3-(4-bromo-3-methyl-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]-3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propan-1-one
1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | Y502-4517 |
| Compound Name: | 1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 401.16 |
| Molecular Formula: | C12 H13 Br F4 N4 O2 |
| Smiles: | Cc1c(cn(CCC(N2C(CC(C(F)F)=N2)(C(F)F)O)=O)n1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7568 |
| logD: | 0.7568 |
| logSw: | -0.6295 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.371 |
| InChI Key: | ZTGDQYFVLGKHIN-LBPRGKRZSA-N |