1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S829-2344 |
| Compound Name: | 1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 342.39 |
| Molecular Formula: | C16 H24 F2 N4 O2 |
| Smiles: | Cc1cnn(CC(N2CCC(CC2)N2CC(C[C@H]2CO)(F)F)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 0.618 |
| logD: | 0.4997 |
| logSw: | -0.5531 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.291 |
| InChI Key: | DLFXIYALLFBJGJ-CQSZACIVSA-N |