1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}-2-ethylbutan-1-one
Chemical Structure Depiction of
1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}-2-ethylbutan-1-one
1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}-2-ethylbutan-1-one
Compound characteristics
| Compound ID: | E687-0603 |
| Compound Name: | 1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}-2-ethylbutan-1-one |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C22 H30 N4 O2 |
| Smiles: | CCC(CC)C(N1CCN(CC1)C(c1cc(c2ccc(C)c(C)c2)n[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2825 |
| logD: | 4.2819 |
| logSw: | -4.1194 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.104 |
| InChI Key: | RYVNYRTWFKNNFG-UHFFFAOYSA-N |