3-cyclopropyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclopropyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-1H-1,2,4-triazole
3-cyclopropyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0115 |
| Compound Name: | 3-cyclopropyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-1H-1,2,4-triazole |
| Molecular Weight: | 396.47 |
| Molecular Formula: | C21 H25 F N6 O |
| Smiles: | COc1ccc(cc1)c1c(CN2C[C@@H](CF)[C@@H](C2)c2nc(C3CC3)n[nH]2)c[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6798 |
| logD: | -1.0711 |
| logSw: | -2.9337 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.974 |
| InChI Key: | AEZXCTRYZLJMFW-YJBOKZPZSA-N |