1-[rel-(3aR,6aR)-5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
1-[rel-(3aR,6aR)-5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S985-0392 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 373.5 |
| Molecular Formula: | C20 H31 N5 O2 |
| Smiles: | CCn1c(C)c(CN2C[C@@H]3CN(C[C@@]3(C2)C(N2CCCC2)=O)C(C)=O)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4675 |
| logD: | -8.6473 |
| logSw: | -0.377 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.492 |
| InChI Key: | ULXBWCYPTVIZTR-ICSRJNTNSA-N |