TL;DR: 1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid (CAS 1001755-12-9) is a chemical compound with molecular formula C8H7BrN4O2 and molecular weight 269.97525 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carboxylic acid
Also Known As: 1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid, 1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carboxylic Acid, BB 0260023, 1-((4-Bromo-1H-pyrazol-1-yl)methyl)-1H-pyrazole-3-carboxylic acid, 1-(4-Bromo-pyrazol-1-ylmethyl)-1H-pyrazole-3-carboxylic acid
| Molecular Formula | C8H7BrN4O2 |
| Molecular Weight | 269.97525 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.97525 Da |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
| SMILES | C1=CN(N=C1C(=O)O)CN2C=C(C=N2)Br |
| InChIKey | JDEUMWYKPZZSPX-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid 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-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid is 1001755-12-9.
The molecular formula of 1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid is C8H7BrN4O2.
The molecular weight of 1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid is 269.97525 g/mol.
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