N-{1-[(3,4-diethoxyphenyl)methyl]-1H-pyrazol-4-yl}-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-{1-[(3,4-diethoxyphenyl)methyl]-1H-pyrazol-4-yl}-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
N-{1-[(3,4-diethoxyphenyl)methyl]-1H-pyrazol-4-yl}-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-0531 |
| Compound Name: | N-{1-[(3,4-diethoxyphenyl)methyl]-1H-pyrazol-4-yl}-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 428.45 |
| Molecular Formula: | C20 H24 N6 O5 |
| Smiles: | CCn1cc(c(C(Nc2cnn(Cc3ccc(c(c3)OCC)OCC)c2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5868 |
| logD: | 1.3909 |
| logSw: | -2.4457 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.385 |
| InChI Key: | JUYJKHVITPWDDY-UHFFFAOYSA-N |