3-methyl-1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonic acid
Chemical Structure Depiction of
3-methyl-1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonic acid
3-methyl-1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonic acid
Compound characteristics
| Compound ID: | Y507-5360 |
| Compound Name: | 3-methyl-1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonic acid |
| Molecular Weight: | 258.22 |
| Molecular Formula: | C7 H9 F3 N2 O3 S |
| Smiles: | Cc1c(cn(CCC(F)(F)F)n1)S(O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -1.5973 |
| logD: | -14.8424 |
| logSw: | -1.0594 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.761 |
| InChI Key: | UNJBCZVLBXFNFT-UHFFFAOYSA-N |