N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | SC12-0105 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C22 H30 N4 O2 |
| Smiles: | Cc1cc(C(N(CCCN2CCc3ccccc3C2)C2CCOCC2)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 2.5841 |
| logD: | 1.6589 |
| logSw: | -2.7289 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.522 |
| InChI Key: | URTGLIRLBJZDQW-UHFFFAOYSA-N |