TL;DR: 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 1005579-46-3) is a chemical compound with molecular formula C13H13BrN8 and molecular weight 360.04465 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-((4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C13H13BrN8 |
| Molecular Weight | 360.04465 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 78.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.04465 Da |
| Heavy Atoms | 22 |
| Complexity | 425.0 |
| SMILES | CC1=C(C(=NN1CC2=NN3C=NC4=C(C3=N2)C=NN4C)C)Br |
| InChIKey | OFXZNTALLZXASW-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine. Following Lipinski's Rule of Five, 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-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 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine is 1005579-46-3.
The molecular formula of 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine is C13H13BrN8.
The molecular weight of 2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine is 360.04465 g/mol.
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