2-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]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}-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}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y503-3327 |
| Compound Name: | 2-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]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(Cc2ccc(cc2)c2nc3c4cn[nH]c4ncn3n2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7391 |
| logD: | 1.6535 |
| logSw: | -2.0312 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.808 |
| InChI Key: | ASCSLGPLABMRLT-UHFFFAOYSA-N |