N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-1H-pyrazole-3-carboxamide
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | S639-0405 |
| Compound Name: | N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 327.43 |
| Molecular Formula: | C18 H25 N5 O |
| Smiles: | CN(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(c1cc[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9621 |
| logD: | -1.1045 |
| logSw: | -1.7917 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.029 |
| InChI Key: | HKSFHPQVQNMYED-RDJZCZTQSA-N |