TL;DR: 5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carboxylic Acid (CAS 1038558-41-6) is a chemical compound with molecular formula C8H5BrN2O2S and molecular weight 271.9255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carboxylic acid
Also Known As: 5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carboxylic Acid, 5-(5-Bromo-2-thienyl)-1H-pyrazole-3-carboxylic acid, 3-(5-bromothiophen-2-yl)-1H-pyrazole-5-carboxylic acid, BB 0219262, 1H-pyrazole-3-carboxylic acid, 5-(5-bromo-2-thienyl)-
| Molecular Formula | C8H5BrN2O2S |
| Molecular Weight | 271.9255 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 94.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.9255 Da |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
| SMILES | C1=C(SC(=C1)Br)C2=CC(=NN2)C(=O)O |
| InChIKey | RZNYNZTTWMRPDS-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(5-bromothiophen-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-(5-bromothiophen-2-yl)-1H-pyrazole-3-carboxylic Acid. Following Lipinski's Rule of Five, 5-(5-bromothiophen-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-(5-bromothiophen-2-yl)-1H-pyrazole-3-carboxylic Acid is 1038558-41-6.
The molecular formula of 5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carboxylic Acid is C8H5BrN2O2S.
The molecular weight of 5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carboxylic Acid is 271.9255 g/mol.
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