2,5-dimethyl-4-{1-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2,5-dimethyl-4-{1-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
2,5-dimethyl-4-{1-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0215 |
| Compound Name: | 2,5-dimethyl-4-{1-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 352.44 |
| Molecular Formula: | C19 H24 N6 O |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)Cc1c[nH]nc1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.298 |
| logD: | -0.1061 |
| logSw: | -2.4367 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.084 |
| InChI Key: | LVGZLJGFLBZSEC-UHFFFAOYSA-N |