4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[(3-methyl-1H-pyrazol-4-yl)methyl]benzamide
Chemical Structure Depiction of
4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[(3-methyl-1H-pyrazol-4-yl)methyl]benzamide
4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[(3-methyl-1H-pyrazol-4-yl)methyl]benzamide
Compound characteristics
| Compound ID: | E856-3005 |
| Compound Name: | 4-{[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[(3-methyl-1H-pyrazol-4-yl)methyl]benzamide |
| Molecular Weight: | 474.95 |
| Molecular Formula: | C25 H23 Cl N6 O2 |
| Smiles: | Cc1c(CNC(c2ccc(CN3C(CCn4c3cc(c3cccc(c3)[Cl])n4)=O)cc2)=O)c[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7957 |
| logD: | 3.7957 |
| logSw: | -4.365 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.702 |
| InChI Key: | HUDQMRZRFFXWDN-UHFFFAOYSA-N |