1-ethyl-N-{1-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-ethyl-N-{1-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-nitro-1H-pyrazole-3-carboxamide
1-ethyl-N-{1-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-0284 |
| Compound Name: | 1-ethyl-N-{1-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 355.35 |
| Molecular Formula: | C16 H17 N7 O3 |
| Smiles: | CCn1cc(c(C(Nc2ncn(Cc3cccc(C)c3)n2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1128 |
| logD: | 0.9291 |
| logSw: | -2.6864 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.68 |
| InChI Key: | QZDOGRYGVVFHJJ-UHFFFAOYSA-N |