TL;DR: 3-chloro-5-(5-chloro-2-furyl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CAS 691868-56-1) is a chemical compound with molecular formula C17H6Cl4F3N3O and molecular weight 464.9217 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-5-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Also Known As: 3-chloro-5-(5-chloro-2-furyl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine, 3-chloro-5-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine, 11R-0030
| Molecular Formula | C17H6Cl4F3N3O |
| Molecular Weight | 464.9217 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 43.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 464.9217 Da |
| Heavy Atoms | 28 |
| Complexity | 574.0 |
| SMILES | C1=CC(=C(C=C1C2=NN3C(=CC(=NC3=C2Cl)C4=CC=C(O4)Cl)C(F)(F)F)Cl)Cl |
| InChIKey | HLUAPPXDPMBSKH-UHFFFAOYSA-N |
The XLogP value of 6.5 indicates that 3-chloro-5-(5-chloro-2-furyl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.3 Ų, 3-chloro-5-(5-chloro-2-furyl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-5-(5-chloro-2-furyl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-chloro-5-(5-chloro-2-furyl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is 691868-56-1.
The molecular formula of 3-chloro-5-(5-chloro-2-furyl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is C17H6Cl4F3N3O.
The molecular weight of 3-chloro-5-(5-chloro-2-furyl)-2-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is 464.9217 g/mol.
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