4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid
Chemical Structure Depiction of
4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid
4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid
Compound characteristics
| Compound ID: | 5408-0494 |
| Compound Name: | 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid |
| Molecular Weight: | 254.26 |
| Molecular Formula: | C10 H10 N2 O4 S |
| Smiles: | CC1=CC(N(c2ccc(cc2)S(O)(=O)=O)N1)=O |
| Stereo: | ACHIRAL |
| logP: | -1.5906 |
| logD: | -15.2905 |
| logSw: | -2.1729 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.785 |
| InChI Key: | VFMNIJOKAXPZLE-UHFFFAOYSA-N |