2-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-3924 |
| Compound Name: | 2-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 403.4 |
| Molecular Formula: | C19 H17 N9 O2 |
| Smiles: | CC(c1nc2c3cnn(c4ccccc4)c3ncn2n1)n1c(C)c(c(C)n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3283 |
| logD: | 2.2443 |
| logSw: | -2.3094 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 91.863 |
| InChI Key: | RGTYNHPVADXOJN-ZDUSSCGKSA-N |