TL;DR: 5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CAS 101419-77-6) is a chemical compound with molecular formula C14H11F4N3O2 and molecular weight 329.07874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Also Known As: 5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 2-(4-Chlorophenyl)-3-methylpyridine, 5-(4-FLUOROPHENYL)-7-(TRIFLUOROMETHYL)-4H,5H,6H,7H-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID, 5-(4-fluorophenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylicacid
| Molecular Formula | C14H11F4N3O2 |
| Molecular Weight | 329.07874 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.07874 Da |
| Heavy Atoms | 23 |
| Complexity | 454.0 |
| SMILES | C1C(NC2=CC(=NN2C1C(F)(F)F)C(=O)O)C3=CC=C(C=C3)F |
| InChIKey | FOEPEPMBSAXCJM-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid. Following Lipinski's Rule of Five, 5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid is 101419-77-6.
The molecular formula of 5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid is C14H11F4N3O2.
The molecular weight of 5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid is 329.07874 g/mol.
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