1-{4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}but-2-yn-1-one
1-{4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0252 |
| Compound Name: | 1-{4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}but-2-yn-1-one |
| Molecular Weight: | 340.36 |
| Molecular Formula: | C18 H17 F N4 O2 |
| Smiles: | CC#CC(N1CCN(CC1)C(c1cc(c2ccc(cc2)F)n[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4256 |
| logD: | 2.4251 |
| logSw: | -2.7389 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.577 |
| InChI Key: | JSBMFVAONCNRDX-UHFFFAOYSA-N |