4-[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0161 |
| Compound Name: | 4-[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 318.38 |
| Molecular Formula: | C15 H22 N6 O2 |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)C(c1cc(C)nn1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3324 |
| logD: | 0.3323 |
| logSw: | -0.8769 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.132 |
| InChI Key: | OTTSMGRKAONCOJ-UHFFFAOYSA-N |