TL;DR: 5-(Thiophen-2-yl)-1H-pyrazole-3-carboxylic acid (CAS 182415-24-3) is a chemical compound with molecular formula C8H6N2O2S and molecular weight 194.015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-thiophen-2-yl-1H-pyrazole-3-carboxylic acid
Also Known As: 5-thiophen-2-yl-1H-pyrazole-3-carboxylic acid, akos pao-0367, 5-(thiophen-2-yl)-1H-pyrazole-3-carboxylic acid, 5-(2-thienyl)-1H-pyrazole-3-carboxylic acid, 5-Thiophen-2-yl-2H-pyrazole-3-carboxylic acid
| Molecular Formula | C8H6N2O2S |
| Molecular Weight | 194.015 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 94.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.015 Da |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
| SMILES | C1=CSC(=C1)C2=CC(=NN2)C(=O)O |
| InChIKey | DUDBNCNNJMOLCC-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Thiophen-2-yl)-1H-pyrazole-3-carboxylic acid. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Thiophen-2-yl)-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-(Thiophen-2-yl)-1H-pyrazole-3-carboxylic acid has 2 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 5-(Thiophen-2-yl)-1H-pyrazole-3-carboxylic acid is 182415-24-3.
The molecular formula of 5-(Thiophen-2-yl)-1H-pyrazole-3-carboxylic acid is C8H6N2O2S.
The molecular weight of 5-(Thiophen-2-yl)-1H-pyrazole-3-carboxylic acid is 194.015 g/mol.
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