1-{4-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}but-2-yn-1-one
1-{4-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0288 |
| Compound Name: | 1-{4-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}but-2-yn-1-one |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C19 H20 N4 O2 |
| Smiles: | CC#CC(N1CCN(CC1)C(c1cc(c2ccccc2C)n[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.457 |
| logD: | 2.4566 |
| logSw: | -2.869 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.577 |
| InChI Key: | FYTOVGGOZLCHMU-UHFFFAOYSA-N |