N-[rel-(3R,4S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-1372 |
| Compound Name: | N-[rel-(3R,4S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C20 H25 N7 O |
| Smiles: | CC(N[C@@H]1CN(Cc2cn(C)nc2C)C[C@H]1c1nc(c2ccccc2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8434 |
| logD: | -3.874 |
| logSw: | -2.1197 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.386 |
| InChI Key: | GQRYVURSFXOKCP-ROUUACIJSA-N |