1-[(5-methyl-2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-[(5-methyl-2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
1-[(5-methyl-2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1013 |
| Compound Name: | 1-[(5-methyl-2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 277.23 |
| Molecular Formula: | C12 H11 N3 O5 |
| Smiles: | Cc1ccc(c(c1)OCn1ccc(C(O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6651 |
| logD: | -1.5265 |
| logSw: | -1.8894 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.177 |
| InChI Key: | GYDKEMBMWHHRNN-UHFFFAOYSA-N |