[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl][3-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
Chemical Structure Depiction of
[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl][3-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl][3-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
Compound characteristics
| Compound ID: | SB34-1089 |
| Compound Name: | [rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl][3-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone |
| Molecular Weight: | 398.41 |
| Molecular Formula: | C20 H20 F2 N6 O |
| Smiles: | C1CC1c1nc([C@@H]2CN(C[C@H]2CF)C(c2c[nH]nc2c2ccc(cc2)F)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2882 |
| logD: | 2.2864 |
| logSw: | -2.9986 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.346 |
| InChI Key: | KWAZXZNKXQPKMF-CZUORRHYSA-N |