(1-{[(2S,4S)-1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(1-{[(2S,4S)-1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
(1-{[(2S,4S)-1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | SB21-1213 |
| Compound Name: | (1-{[(2S,4S)-1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C19 H26 F N7 O2 |
| Smiles: | CCn1c(C)c(cn1)C(N1C[C@H](C[C@H]1Cn1cc(C(N2CCCC2)=O)nn1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.585 |
| logD: | 0.585 |
| logSw: | -1.1351 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 74.285 |
| InChI Key: | IPZCLZAOJFMYBN-LSDHHAIUSA-N |