1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}but-2-yn-1-one
1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0251 |
| Compound Name: | 1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}but-2-yn-1-one |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C20 H22 N4 O2 |
| Smiles: | CC#CC(N1CCN(CC1)C(c1cc(c2ccc(C)c(C)c2)n[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2589 |
| logD: | 3.2583 |
| logSw: | -3.1803 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.577 |
| InChI Key: | OMXNKRUYUFIHGT-UHFFFAOYSA-N |