2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | P930-1258 |
| Compound Name: | 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C19 H22 N6 O |
| Smiles: | Cc1cc(C)n(CC(N2CCC[C@H]2c2nnc(c3ccccc3)[nH]2)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.9496 |
| logD: | 0.9141 |
| logSw: | -2.0133 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.94 |
| InChI Key: | KIOSDJGYXDBSPO-INIZCTEOSA-N |