1'-ethyl-4'-nitro-1'H-[1,3'-bipyrazole]-3-carboxylic acid
Chemical Structure Depiction of
1'-ethyl-4'-nitro-1'H-[1,3'-bipyrazole]-3-carboxylic acid
1'-ethyl-4'-nitro-1'H-[1,3'-bipyrazole]-3-carboxylic acid
Compound characteristics
| Compound ID: | Y507-5354 |
| Compound Name: | 1'-ethyl-4'-nitro-1'H-[1,3'-bipyrazole]-3-carboxylic acid |
| Molecular Weight: | 251.2 |
| Molecular Formula: | C9 H9 N5 O4 |
| Smiles: | CCn1cc(c(n1)n1ccc(C(O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.1569 |
| logD: | -4.3242 |
| logSw: | -1.2871 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.179 |
| InChI Key: | QTCVGJDRQZCHFP-UHFFFAOYSA-N |