N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | Y505-2808 |
| Compound Name: | N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 468.47 |
| Molecular Formula: | C24 H20 N8 O3 |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2)n1)NC(c1cc(c2cccc(c2)[N+]([O-])=O)nc2ncnn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7201 |
| logD: | 2.7199 |
| logSw: | -3.2908 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.081 |
| InChI Key: | NOLCSNTUGXPAOO-UHFFFAOYSA-N |