3-{(2S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl}-5-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{(2S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl}-5-phenyl-4H-1,2,4-triazole
3-{(2S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl}-5-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | P930-1338 |
| Compound Name: | 3-{(2S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl}-5-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 322.41 |
| Molecular Formula: | C18 H22 N6 |
| Smiles: | Cc1c(CN2CCC[C@H]2c2nnc(c3ccccc3)[nH]2)cn(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 1.4503 |
| logD: | -0.0424 |
| logSw: | -1.181 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.872 |
| InChI Key: | USSCELHNISZMLC-INIZCTEOSA-N |