5-{1-[3-(4-fluorophenyl)-1H-pyrazole-5-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-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
Compound ID: | S559-1319 |
Compound Name: | 5-{1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
Molecular Weight: | 412.47 |
Molecular Formula: | C21 H25 F N6 O2 |
Smiles: | CC(C)N1C(C2CCN(CC2)C(c2cc(c3ccc(cc3)F)n[nH]2)=O)=NN(C)C1=O |
Stereo: | ACHIRAL |
logP: | 3.3736 |
logD: | 3.3668 |
logSw: | -3.5107 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.227 |
InChI Key: | JVTUKJASFKQDCZ-UHFFFAOYSA-N |