5-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1351 |
| Compound Name: | 5-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 346.43 |
| Molecular Formula: | C17 H26 N6 O2 |
| Smiles: | CCn1ccc(C(N2CCC(CC2)C2=NN(C)C(N2C(C)C)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.3048 |
| logD: | 1.2986 |
| logSw: | -1.5195 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.122 |
| InChI Key: | ORSBMPFGAHVINS-UHFFFAOYSA-N |