3-(4-chlorophenyl)-2,5-dimethyl-6-(prop-2-en-1-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-2,5-dimethyl-6-(prop-2-en-1-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
3-(4-chlorophenyl)-2,5-dimethyl-6-(prop-2-en-1-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D718-0247 |
| Compound Name: | 3-(4-chlorophenyl)-2,5-dimethyl-6-(prop-2-en-1-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 313.78 |
| Molecular Formula: | C17 H16 Cl N3 O |
| Smiles: | CC1=C(CC=C)C(n2c(c(c3ccc(cc3)[Cl])c(C)n2)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5758 |
| logD: | 3.5619 |
| logSw: | -4.5119 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.719 |
| InChI Key: | KBPMVCVJWKMQDJ-UHFFFAOYSA-N |