5-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-2-methyl-4-(2-phenylethyl)-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-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-2-methyl-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1213 |
| Compound Name: | 5-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-2-methyl-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C22 H28 N6 O2 |
| Smiles: | CCn1ccc(C(N2CCC(CC2)C2=NN(C)C(N2CCc2ccccc2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.3434 |
| logD: | 2.3432 |
| logSw: | -2.1655 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.108 |
| InChI Key: | MKGYRAWSHKEDOB-UHFFFAOYSA-N |