TL;DR: (3,5-dimethylpyrazol-1-yl)-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (CAS 1005600-16-7) is a chemical compound with molecular formula C17H12F3N5OS and molecular weight 391.07147 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,5-dimethylpyrazol-1-yl)-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
Also Known As: (3,5-dimethylpyrazol-1-yl)-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone, (3,5-DIMETHYL-1H-PYRAZOL-1-YL)[5-(2-THIENYL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDIN-2-YL]METHANONE, (3,5-dimethyl-1H-pyrazol-1-yl)[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
| Molecular Formula | C17H12F3N5OS |
| Molecular Weight | 391.07147 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 93.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.07147 Da |
| Heavy Atoms | 27 |
| Complexity | 579.0 |
| SMILES | CC1=CC(=NN1C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CS4)C(F)(F)F)C |
| InChIKey | ZFFVOMXSDSGCPX-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that (3,5-dimethylpyrazol-1-yl)-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,5-dimethylpyrazol-1-yl)-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone. Following Lipinski's Rule of Five, (3,5-dimethylpyrazol-1-yl)-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone has 0 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 (3,5-dimethylpyrazol-1-yl)-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is 1005600-16-7.
The molecular formula of (3,5-dimethylpyrazol-1-yl)-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is C17H12F3N5OS.
The molecular weight of (3,5-dimethylpyrazol-1-yl)-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is 391.07147 g/mol.
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