3-[4-(3-methylphenyl)piperazine-1-sulfonyl]-1-[(pyridin-2-yl)methyl]-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-[4-(3-methylphenyl)piperazine-1-sulfonyl]-1-[(pyridin-2-yl)methyl]-1H-pyrazole-4-carboxylic acid
3-[4-(3-methylphenyl)piperazine-1-sulfonyl]-1-[(pyridin-2-yl)methyl]-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | P593-0525 |
| Compound Name: | 3-[4-(3-methylphenyl)piperazine-1-sulfonyl]-1-[(pyridin-2-yl)methyl]-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 441.51 |
| Molecular Formula: | C21 H23 N5 O4 S |
| Smiles: | Cc1cccc(c1)N1CCN(CC1)S(c1c(cn(Cc2ccccn2)n1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.108 |
| logD: | -1.7118 |
| logSw: | -2.6601 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.988 |
| InChI Key: | PHBFBPSAMPRAQE-UHFFFAOYSA-N |