1-[rel-(3R,4R)-3-[1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-[1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
1-[rel-(3R,4R)-3-[1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S995-0087 |
| Compound Name: | 1-[rel-(3R,4R)-3-[1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 438.57 |
| Molecular Formula: | C25 H34 N4 O3 |
| Smiles: | CCn1c(C)c(cn1)C(N1CCC(CC1)[C@@H]1CN(C[C@H]1COc1ccccc1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6324 |
| logD: | 2.6324 |
| logSw: | -2.8753 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.388 |
| InChI Key: | BFXWOFRUZRZAGU-ZJSXRUAMSA-N |