2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y500-0452 |
| Compound Name: | 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 379.21 |
| Molecular Formula: | C15 H15 Br N4 O3 |
| Smiles: | Cc1c(c(nn1CC(N1CCc2ccccc2C1)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.1147 |
| logD: | 2.1147 |
| logSw: | -2.3006 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.312 |
| InChI Key: | GPHPKJHEIHJLBO-UHFFFAOYSA-N |