{4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(thiophen-2-yl)methanone
Chemical Structure Depiction of
{4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(thiophen-2-yl)methanone
{4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | E687-0560 |
| Compound Name: | {4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(thiophen-2-yl)methanone |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C21 H22 N4 O2 S |
| Smiles: | Cc1ccc(c(C)c1)c1cc(C(N2CCN(CC2)C(c2cccs2)=O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6985 |
| logD: | 3.6982 |
| logSw: | -3.6986 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.851 |
| InChI Key: | XHHLOFJWOYSVNC-UHFFFAOYSA-N |