3-(2,5-dimethyl-7-oxo-3-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
Chemical Structure Depiction of
3-(2,5-dimethyl-7-oxo-3-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
3-(2,5-dimethyl-7-oxo-3-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
Compound characteristics
| Compound ID: | D724-1023 |
| Compound Name: | 3-(2,5-dimethyl-7-oxo-3-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C17 H17 N3 O3 |
| Smiles: | CC1=C(CCC(O)=O)C(n2c(c(c3ccccc3)c(C)n2)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7075 |
| logD: | -0.7888 |
| logSw: | -2.1454 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.103 |
| InChI Key: | YILLPNWQRYWGAB-UHFFFAOYSA-N |