3-cyclohexyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclohexyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-1H-1,2,4-triazole
3-cyclohexyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0264 |
| Compound Name: | 3-cyclohexyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-1H-1,2,4-triazole |
| Molecular Weight: | 374.5 |
| Molecular Formula: | C20 H31 F N6 |
| Smiles: | CC(C)n1cc(CN2C[C@@H](CF)[C@@H](C2)c2nc(C3CCCCC3)n[nH]2)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8664 |
| logD: | -4.7382 |
| logSw: | -3.0495 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.871 |
| InChI Key: | HMWHUHWYQDUCNQ-ROUUACIJSA-N |