2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y500-0439 |
| Compound Name: | 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 402.21 |
| Molecular Formula: | C16 H15 Br F3 N3 O |
| Smiles: | Cc1c(c(C(F)(F)F)nn1CC(N1CCc2ccccc2C1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.9724 |
| logD: | 2.9724 |
| logSw: | -3.032 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 30.7681 |
| InChI Key: | KVOUPYWUBUIKJL-UHFFFAOYSA-N |