3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3aR,6aR)-5-methyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Chemical Structure Depiction of
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3aR,6aR)-5-methyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3aR,6aR)-5-methyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | S985-0068 |
| Compound Name: | 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3aR,6aR)-5-methyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one |
| Molecular Weight: | 373.5 |
| Molecular Formula: | C20 H31 N5 O2 |
| Smiles: | Cc1cc(C)n(CCC(N2C[C@@H]3CN(C)C[C@@]3(C2)C(N2CCCC2)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.1171 |
| logD: | -5.7909 |
| logSw: | -0.3206 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.222 |
| InChI Key: | FKAONQGXNPKMOY-PXNSSMCTSA-N |