methyl 1-ethyl-4-(3-nitrobenzamido)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-ethyl-4-(3-nitrobenzamido)-1H-pyrazole-3-carboxylate
methyl 1-ethyl-4-(3-nitrobenzamido)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y502-1354 |
| Compound Name: | methyl 1-ethyl-4-(3-nitrobenzamido)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 318.29 |
| Molecular Formula: | C14 H14 N4 O5 |
| Smiles: | CCn1cc(c(C(=O)OC)n1)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3936 |
| logD: | -2.269 |
| logSw: | -2.2531 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.236 |
| InChI Key: | VYTFFHMKTUFRBV-UHFFFAOYSA-N |