2-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-3915 |
| Compound Name: | 2-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 465.47 |
| Molecular Formula: | C24 H19 N9 O2 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)c2nc3c4cnn(c5ccccc5)c4ncn3n2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5569 |
| logD: | 3.524 |
| logSw: | -3.499 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 91.503 |
| InChI Key: | UMPOKTSLEXGMNG-UHFFFAOYSA-N |