N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1-methyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1-methyl-1H-pyrazole-3-carboxamide
N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1-methyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | S823-0860 |
| Compound Name: | N-[rel-(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1-methyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 314.39 |
| Molecular Formula: | C17 H22 N4 O2 |
| Smiles: | Cn1ccc(C(N[C@@H]2CN(Cc3ccccc3)C[C@H]2CO)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2591 |
| logD: | -1.4339 |
| logSw: | -1.5371 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.348 |
| InChI Key: | GAKYEPXPUIMBGR-ZBFHGGJFSA-N |