1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-9616 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 286.29 |
| Molecular Formula: | C14 H14 N4 O3 |
| Smiles: | C1CN(Cc2ccccc12)C(Cn1ccc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1137 |
| logD: | 1.1137 |
| logSw: | -1.9943 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.526 |
| InChI Key: | BRUMXRFTVXAOLK-UHFFFAOYSA-N |