2-{4-[(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-[(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-[(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: | Y502-3914 |
| Compound Name: | 2-{4-[(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: | 437.42 |
| Molecular Formula: | C22 H15 N9 O2 |
| Smiles: | C(c1ccc(cc1)c1nc2c3cnn(c4ccccc4)c3ncn2n1)n1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2514 |
| logD: | 3.2185 |
| logSw: | -3.2393 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 92.329 |
| InChI Key: | CUNRSHLPZABOQC-UHFFFAOYSA-N |