2-(4-bromo-1H-pyrazol-1-yl)-1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-bromo-1H-pyrazol-1-yl)-1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
2-(4-bromo-1H-pyrazol-1-yl)-1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | Y502-1667 |
| Compound Name: | 2-(4-bromo-1H-pyrazol-1-yl)-1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 337.12 |
| Molecular Formula: | C10 H11 Br F2 N4 O2 |
| Smiles: | CC1CC(C(F)F)(N(C(Cn2cc(cn2)[Br])=O)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4522 |
| logD: | 0.4522 |
| logSw: | -0.4881 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.213 |
| InChI Key: | PBYOVJKEJGTECX-JTQLQIEISA-N |