TL;DR: N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide (CAS 1008454-41-8) is a chemical compound with molecular formula C17H21N3O2S and molecular weight 331.13544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide
Also Known As: F0561-0325, N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide, N-{2-tert-butyl-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl}-2-methylbenzamide, N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide, N-(2-tert-butyl-5-oxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide
| Molecular Formula | C17H21N3O2S |
| Molecular Weight | 331.13544 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.13544 Da |
| Heavy Atoms | 23 |
| Complexity | 491.0 |
| SMILES | CC1=CC=CC=C1C(=O)NC2=C3CS(=O)CC3=NN2C(C)(C)C |
| InChIKey | KWYQVVSEHQCCIW-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide. Following Lipinski's Rule of Five, N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide is 1008454-41-8.
The molecular formula of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide is C17H21N3O2S.
The molecular weight of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide is 331.13544 g/mol.
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