2-{3-[(4-chloro-3-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-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{3-[(4-chloro-3-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: | Y502-5384 |
| Compound Name: | 2-{3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 409.79 |
| Molecular Formula: | C17 H12 Cl N9 O2 |
| Smiles: | Cn1c2c(cn1)c1nc(c3cccc(Cn4cc(c(n4)[N+]([O-])=O)[Cl])c3)nn1cn2 |
| Stereo: | ACHIRAL |
| logP: | 2.0176 |
| logD: | 1.9693 |
| logSw: | -2.7448 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 92.459 |
| InChI Key: | KNQHECSQSVYRAA-UHFFFAOYSA-N |