5-{[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
5-{[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
5-{[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-8500 |
| Compound Name: | 5-{[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 364.31 |
| Molecular Formula: | C15 H16 N4 O7 |
| Smiles: | Cn1c(C(NC(CO)C(c2ccc(cc2)[N+]([O-])=O)O)=O)c(cn1)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.0875 |
| logD: | -3.6881 |
| logSw: | -2.0786 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 132.387 |
| InChI Key: | LDAXLKKQGVHJFU-UHFFFAOYSA-N |