5-[rel-(3R,4R)-4-(fluoromethyl)-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-[rel-(3R,4R)-4-(fluoromethyl)-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole--hydrogen chloride (1/1)
5-[rel-(3R,4R)-4-(fluoromethyl)-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | SB34-1307 |
| Compound Name: | 5-[rel-(3R,4R)-4-(fluoromethyl)-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole--hydrogen chloride (1/1) |
| Molecular Weight: | 406.89 |
| Molecular Formula: | C19 H23 F N6 O |
| Salt: | HCl |
| Smiles: | Cc1nc([C@@H]2CN(Cc3c[nH]nc3c3ccc(cc3)OC)C[C@H]2CF)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7087 |
| logD: | -2.0422 |
| logSw: | -2.3889 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.335 |
| InChI Key: | LMXCLELEPYBCMQ-YOEHRIQHSA-N |