2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-4607 |
| Compound Name: | 2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 403.4 |
| Molecular Formula: | C19 H17 N9 O2 |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)c2nc3c4cnn(C)c4ncn3n2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7231 |
| logD: | 1.6748 |
| logSw: | -1.6908 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 91.924 |
| InChI Key: | ZXQNQUZYHGMGDP-UHFFFAOYSA-N |