1-[4-(3',5'-dimethyl-1'-propyl-1H,1'H-[3,4'-bipyrazole]-5-carbonyl)piperazin-1-yl]but-2-yn-1-one
Chemical Structure Depiction of
1-[4-(3',5'-dimethyl-1'-propyl-1H,1'H-[3,4'-bipyrazole]-5-carbonyl)piperazin-1-yl]but-2-yn-1-one
1-[4-(3',5'-dimethyl-1'-propyl-1H,1'H-[3,4'-bipyrazole]-5-carbonyl)piperazin-1-yl]but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0311 |
| Compound Name: | 1-[4-(3',5'-dimethyl-1'-propyl-1H,1'H-[3,4'-bipyrazole]-5-carbonyl)piperazin-1-yl]but-2-yn-1-one |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C20 H26 N6 O2 |
| Smiles: | CCCn1c(C)c(c2cc(C(N3CCN(CC3)C(C#CC)=O)=O)[nH]n2)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.476 |
| logD: | 1.4757 |
| logSw: | -1.9215 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.109 |
| InChI Key: | OLOAEGWPPPDVCW-UHFFFAOYSA-N |