5-[rel-(3R,4R)-4-(fluoromethyl)-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-4-(fluoromethyl)-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-4-(fluoromethyl)-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0087 |
| Compound Name: | 5-[rel-(3R,4R)-4-(fluoromethyl)-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 306.38 |
| Molecular Formula: | C15 H23 F N6 |
| Smiles: | CC(C)n1cc(CN2C[C@@H](CF)[C@@H](C2)c2nc(C)n[nH]2)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6927 |
| logD: | -6.9119 |
| logSw: | -1.6034 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.563 |
| InChI Key: | ZBMCDHBIQUNZGO-KBPBESRZSA-N |