1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}-2-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}-2-(4-fluorophenyl)ethan-1-one
1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}-2-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8016-7490 |
| Compound Name: | 1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}-2-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 437.47 |
| Molecular Formula: | C23 H24 F N5 O3 |
| Smiles: | Cc1cc(C)n(c2cc(ccc2[N+]([O-])=O)N2CCN(CC2)C(Cc2ccc(cc2)F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.977 |
| logD: | 2.977 |
| logSw: | -3.349 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.271 |
| InChI Key: | HLOITDSBLVPZHI-UHFFFAOYSA-N |