methyl (2,5-dimethyl-7-oxo-3-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)acetate
Chemical Structure Depiction of
methyl (2,5-dimethyl-7-oxo-3-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)acetate
methyl (2,5-dimethyl-7-oxo-3-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)acetate
Compound characteristics
| Compound ID: | D724-1022 |
| Compound Name: | methyl (2,5-dimethyl-7-oxo-3-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)acetate |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C17 H17 N3 O3 |
| Smiles: | CC1=C(CC(=O)OC)C(n2c(c(c3ccccc3)c(C)n2)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8372 |
| logD: | 1.8261 |
| logSw: | -2.2344 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.298 |
| InChI Key: | CMPWNCXEZPTERI-UHFFFAOYSA-N |