2-methyl-5-[1-(3-phenyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-methyl-5-[1-(3-phenyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-5-[1-(3-phenyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1322 |
| Compound Name: | 2-methyl-5-[1-(3-phenyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 394.48 |
| Molecular Formula: | C21 H26 N6 O2 |
| Smiles: | CC(C)N1C(C2CCN(CC2)C(c2c[nH]nc2c2ccccc2)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.5105 |
| logD: | 2.5043 |
| logSw: | -2.9113 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.927 |
| InChI Key: | CMFDVJDRACWXFO-UHFFFAOYSA-N |