N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | E751-3769 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 453.59 |
| Molecular Formula: | C28 H31 N5 O |
| Smiles: | Cc1ccc(cc1)n1c(c(C(NCCCN2CCc3ccccc3C2)=O)c(C)n1)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4839 |
| logD: | 3.3341 |
| logSw: | -4.1203 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.347 |
| InChI Key: | KUPVWJFXDHKWNX-UHFFFAOYSA-N |