1-(4-chlorophenyl)-6-methyl-7-oxo-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide
Chemical Structure Depiction of
1-(4-chlorophenyl)-6-methyl-7-oxo-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide
1-(4-chlorophenyl)-6-methyl-7-oxo-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | L090-0446 |
| Compound Name: | 1-(4-chlorophenyl)-6-methyl-7-oxo-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide |
| Molecular Weight: | 447.8 |
| Molecular Formula: | C20 H13 Cl F3 N5 O2 |
| Smiles: | CN1C=Nc2c(C(Nc3cccc(c3)C(F)(F)F)=O)nn(c3ccc(cc3)[Cl])c2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.5929 |
| logD: | 3.3347 |
| logSw: | -4.1915 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.417 |
| InChI Key: | ZPGIRRGVRGZRCI-UHFFFAOYSA-N |