2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline
2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | 8013-6739 |
| Compound Name: | 2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 348.4 |
| Molecular Formula: | C20 H20 N4 O2 |
| Smiles: | Cc1cc(C)n(c2cc(ccc2[N+]([O-])=O)N2CCc3ccccc3C2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7938 |
| logD: | 3.7938 |
| logSw: | -3.9386 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.004 |
| InChI Key: | PNNJMGGZMFGNDB-UHFFFAOYSA-N |