2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-3895 |
| Compound Name: | 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 389.37 |
| Molecular Formula: | C18 H15 N9 O2 |
| Smiles: | Cc1c(c(C)n(Cc2nc3c4cnn(c5ccccc5)c4ncn3n2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7761 |
| logD: | 1.6909 |
| logSw: | -1.8709 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 92.765 |
| InChI Key: | JHBFCKYOCJMEGK-UHFFFAOYSA-N |