1-[rel-(3aR,6aR)-5-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
1-[rel-(3aR,6aR)-5-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S985-0295 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C21 H31 N5 O3 |
| Smiles: | CC(C)C(N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(c1cc(C)n(C)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7111 |
| logD: | 0.7111 |
| logSw: | -0.802 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.502 |
| InChI Key: | DUBMRSPQYYVJJJ-IERDGZPVSA-N |