TL;DR: 5-tert-butyl-7-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (CAS 1004019-04-8) is a chemical compound with molecular formula C22H25N5 and molecular weight 359.211 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-tert-butyl-7-(3,5-dimethylpyrazol-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
Also Known As: 5-tert-butyl-7-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine, 5-tert-butyl-7-(3,5-dimethylpyrazol-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine, 1-{5-TERT-BUTYL-2-METHYL-3-PHENYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YL}-3,5-DIMETHYL-1H-PYRAZOLE, 5-(tert-butyl)-7-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine, 5-(tert-butyl)-7-(3,5-dimethylpyrazolyl)-2-methyl-3-phenyl-8-hydropyrazolo[1,5 -a]pyrimidine
| Molecular Formula | C22H25N5 |
| Molecular Weight | 359.211 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.211 Da |
| Heavy Atoms | 27 |
| Complexity | 511.0 |
| SMILES | CC1=CC(=NN1C2=CC(=NC3=C(C(=NN23)C)C4=CC=CC=C4)C(C)(C)C)C |
| InChIKey | VKEPXKDZGDFIMZ-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 5-tert-butyl-7-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-3-phenylpyrazolo[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 48.0 Ų, 5-tert-butyl-7-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-tert-butyl-7-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-tert-butyl-7-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is 1004019-04-8.
The molecular formula of 5-tert-butyl-7-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is C22H25N5.
The molecular weight of 5-tert-butyl-7-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is 359.211 g/mol.
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