5-[rel-(3R,4R)-4-(methoxymethyl)-1-{[3-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-4-(methoxymethyl)-1-{[3-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-4-(methoxymethyl)-1-{[3-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB32-0111 |
| Compound Name: | 5-[rel-(3R,4R)-4-(methoxymethyl)-1-{[3-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C20 H26 N6 O |
| Smiles: | Cc1ccc(cc1)c1c(CN2C[C@@H](COC)[C@@H](C2)c2nc(C)n[nH]2)c[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2294 |
| logD: | -1.7976 |
| logSw: | -2.7681 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.215 |
| InChI Key: | GIOHFMUJUSVMKD-MSOLQXFVSA-N |