N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-1-(3,4-dimethylphenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-1-(3,4-dimethylphenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-1-(3,4-dimethylphenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E922-0422 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-1-(3,4-dimethylphenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 494.08 |
| Molecular Formula: | C28 H35 N5 O |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1C)n1c(C2CCNCC2)c(cn1)C(NCCN1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7965 |
| logD: | 0.3155 |
| logSw: | -3.6289 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.113 |
| InChI Key: | BKQFDRQBVCJCCL-UHFFFAOYSA-N |