5-{1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2333 |
| Compound Name: | 5-{1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C24 H23 F N6 O2 |
| Smiles: | Cc1ccc(cc1)N1C(C2CCN(CC2)C(c2cc(c3ccc(cc3)F)n[nH]2)=O)=NNC1=O |
| Stereo: | ACHIRAL |
| logP: | 4.2348 |
| logD: | 4.2116 |
| logSw: | -4.124 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.274 |
| InChI Key: | IQLOIEKPZRHAHQ-UHFFFAOYSA-N |