N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
Compound characteristics
| Compound ID: | S639-0442 |
| Compound Name: | N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide |
| Molecular Weight: | 397.56 |
| Molecular Formula: | C23 H35 N5 O |
| Smiles: | Cc1c(CCC(N[C@@H]2CN(Cc3ccccc3)C[C@H]2CN(C)C)=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1303 |
| logD: | -0.994 |
| logSw: | -1.8805 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.054 |
| InChI Key: | WLXGVSGWALCYKZ-UNMCSNQZSA-N |