TL;DR: 7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 847179-59-3) is a chemical compound with molecular formula C19H12Cl2N6O and molecular weight 410.04495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: 7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine, 1-[3-(3,4-dichlorophenyl)(6-hydropyrazolo[5,4-d]1,2,4-triazolo[1,5-e]pyrimidin -8-yl)]-4-methoxybenzene
| Molecular Formula | C19H12Cl2N6O |
| Molecular Weight | 410.04495 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.04495 Da |
| Heavy Atoms | 28 |
| Complexity | 551.0 |
| SMILES | COC1=CC=C(C=C1)C2=NN3C=NC4=C(C3=N2)C=NN4C5=CC(=C(C=C5)Cl)Cl |
| InChIKey | QKIWNKSZZLQCMY-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine. Following Lipinski's Rule of Five, 7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine is 847179-59-3.
The molecular formula of 7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine is C19H12Cl2N6O.
The molecular weight of 7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine is 410.04495 g/mol.
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