1-[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one
1-[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one
Compound characteristics
| Compound ID: | S831-2466 |
| Compound Name: | 1-[rel-(3R,4R)-3-(hydroxymethyl)-4-(pyridin-2-yl)pyrrolidin-1-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one |
| Molecular Weight: | 342.44 |
| Molecular Formula: | C19 H26 N4 O2 |
| Smiles: | Cc1c(CCC(N2C[C@@H](CO)[C@@H](C2)c2ccccn2)=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1416 |
| logD: | 0.1409 |
| logSw: | -1.6776 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.323 |
| InChI Key: | RDQYZXNUUPBTKY-DOTOQJQBSA-N |