5-[rel-(3R,4R)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB32-0913 |
| Compound Name: | 5-[rel-(3R,4R)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C20 H26 N6 O |
| Smiles: | Cc1c(CN2C[C@@H](COC)[C@@H](C2)c2nc(c3ccccc3)n[nH]2)cn(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.954 |
| logD: | -3.716 |
| logSw: | -2.4076 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.303 |
| InChI Key: | HYPCGQMYMQCUSM-MSOLQXFVSA-N |