TL;DR: 1-(4-chlorophenyl)-N-(5-oxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclopentanecarboxamide (CAS 1017691-58-5) is a chemical compound with molecular formula C24H24ClN3O2S and molecular weight 453.12778 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
Also Known As: 1-(4-chlorophenyl)-N-(5-oxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclopentanecarboxamide, F0561-0810, 1-(4-chlorophenyl)-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide, 1-(4-chlorophenyl)-N-[2-(2-methylphenyl)-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
| Molecular Formula | C24H24ClN3O2S |
| Molecular Weight | 453.12778 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.12778 Da |
| Heavy Atoms | 31 |
| Complexity | 692.0 |
| SMILES | CC1=CC=CC=C1N2C(=C3CS(=O)CC3=N2)NC(=O)C4(CCCC4)C5=CC=C(C=C5)Cl |
| InChIKey | UPTXLJYYEXFRQC-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 1-(4-chlorophenyl)-N-(5-oxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclopentanecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-N-(5-oxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclopentanecarboxamide. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-N-(5-oxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclopentanecarboxamide 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 1-(4-chlorophenyl)-N-(5-oxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclopentanecarboxamide is 1017691-58-5.
The molecular formula of 1-(4-chlorophenyl)-N-(5-oxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclopentanecarboxamide is C24H24ClN3O2S.
The molecular weight of 1-(4-chlorophenyl)-N-(5-oxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclopentanecarboxamide is 453.12778 g/mol.
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