2-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propan-2-yl]-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)propan-2-yl]-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)propan-2-yl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-5892 |
| Compound Name: | 2-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propan-2-yl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 417.43 |
| Molecular Formula: | C20 H19 N9 O2 |
| Smiles: | CC(Cn1c(C)c(c(C)n1)[N+]([O-])=O)c1nc2c3cnn(c4ccccc4)c3ncn2n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.493 |
| logD: | 2.3822 |
| logSw: | -2.3255 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 91.775 |
| InChI Key: | MKMPVRMUVFAOCH-LBPRGKRZSA-N |