1-{4-[rel-(3R,4R)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
1-{4-[rel-(3R,4R)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S995-0970 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 376.5 |
| Molecular Formula: | C20 H32 N4 O3 |
| Smiles: | CCn1ccc(C(N2C[C@@H](CO)[C@@H](C2)C2CCN(CC2)C(C(C)C)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9103 |
| logD: | 0.9103 |
| logSw: | -1.5198 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.268 |
| InChI Key: | JUHSFGLDRHGTLU-IRXDYDNUSA-N |