3-[4-(4-chlorophenyl)piperazine-1-sulfonyl]-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-[4-(4-chlorophenyl)piperazine-1-sulfonyl]-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
3-[4-(4-chlorophenyl)piperazine-1-sulfonyl]-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | P593-0611 |
| Compound Name: | 3-[4-(4-chlorophenyl)piperazine-1-sulfonyl]-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 412.89 |
| Molecular Formula: | C17 H21 Cl N4 O4 S |
| Smiles: | CC(C)n1cc(C(O)=O)c(n1)S(N1CCN(CC1)c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8385 |
| logD: | -1.268 |
| logSw: | -3.3416 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.9 |
| InChI Key: | SOBMYSZXVVEXGH-UHFFFAOYSA-N |