3-[(6-methoxy-6-oxohexyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-[(6-methoxy-6-oxohexyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
3-[(6-methoxy-6-oxohexyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-5990 |
| Compound Name: | 3-[(6-methoxy-6-oxohexyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 297.31 |
| Molecular Formula: | C13 H19 N3 O5 |
| Smiles: | Cn1cc(C(O)=O)c(C(NCCCCCC(=O)OC)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.0584 |
| logD: | -3.7172 |
| logSw: | -1.2461 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.107 |
| InChI Key: | AJIHYCPFSFZSFW-UHFFFAOYSA-N |