5-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-4-(4-methylphenyl)-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]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2357 |
| Compound Name: | 5-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 380.45 |
| Molecular Formula: | C20 H24 N6 O2 |
| Smiles: | CCn1ccc(C(N2CCC(CC2)C2=NNC(N2c2ccc(C)cc2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.166 |
| logD: | 2.1428 |
| logSw: | -2.59 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.169 |
| InChI Key: | DTCSQTUTBHSFCE-UHFFFAOYSA-N |