3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one
Chemical Structure Depiction of
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | SB32-0928 |
| Compound Name: | 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C22 H28 N6 O2 |
| Smiles: | Cc1cc(C)n(CCC(N2C[C@@H](COC)[C@@H](C2)c2nc(c3ccccc3)n[nH]2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6307 |
| logD: | 1.6261 |
| logSw: | -2.4574 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.515 |
| InChI Key: | UNAXHNLLUUTRBJ-RBUKOAKNSA-N |