5-(1H-tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid
TL;DR: 5-(1H-tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid (CAS 1039008-40-6) is a chemical compound with molecular formula C5H4N6O2 and molecular weight 180.03957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(tetrazol-1-yl)-1H-pyrazole-5-carboxylic acid
Also Known As: 5-(1H-tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid, 3-(tetrazol-1-yl)-1H-pyrazole-5-carboxylic acid, 7833AC, 3-(1H-tetrazol-1-yl)-1H-pyrazole-5-carboxylic acid, Y-7009
Technical Specifications
| Molecular Formula | C5H4N6O2 |
| Molecular Weight | 180.03957 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.03957 Da |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
| SMILES | C1=C(NN=C1N2C=NN=N2)C(=O)O |
| InChIKey | QMCYTZWSWDTSML-UHFFFAOYSA-N |
Chemical Property Profile of 5-(1H-tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid
Property Insights of 5-(1H-tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid
The XLogP value of -0.3 indicates that 5-(1H-tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1H-tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-(1H-tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(1H-tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid?
The CAS number of 5-(1H-tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid is 1039008-40-6.
What is the molecular formula of 5-(1H-tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid?
The molecular formula of 5-(1H-tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid is C5H4N6O2.
What is the molecular weight of 5-(1H-tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid?
The molecular weight of 5-(1H-tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid is 180.03957 g/mol.
Where can I buy 5-(1H-tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid?
You can request a quote for 5-(1H-tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(1H-tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-(1H-tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.