N-[rel-(3R,4S)-1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-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-pyrazole-5-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-1369 |
| Compound Name: | N-[rel-(3R,4S)-1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 393.45 |
| Molecular Formula: | C20 H23 N7 O2 |
| Smiles: | CC(N[C@@H]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)C(c1cc(C)nn1C)=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.5356 |
| logD: | 0.5313 |
| logSw: | -2.099 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.463 |
| InChI Key: | NTGVPUUCXYHJNN-HZPDHXFCSA-N |