1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid
TL;DR: 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid (CAS 159427-77-7) is a chemical compound with molecular formula C6H5N3O6 and molecular weight 215.01784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-4-nitropyrazole-3,5-dicarboxylic acid
Also Known As: 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid, 1-methyl-4-nitropyrazole-3,5-dicarboxylic acid, ZERO/001866, 1-Methyl-4-nitro-1H-pyrazole-3,5-dicarboxylicacid, 1-methyl-4-nitro-pyrazole-3,5-dicarboxylic acid
Technical Specifications
| Molecular Formula | C6H5N3O6 |
| Molecular Weight | 215.01784 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.01784 Da |
| Heavy Atoms | 15 |
| Complexity | 312.0 |
| SMILES | CN1C(=C(C(=N1)C(=O)O)[N+](=O)[O-])C(=O)O |
| InChIKey | MJLKEYGTMZKPAL-UHFFFAOYSA-N |
Chemical Property Profile of 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid
Property Insights of 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid
The XLogP value of -0.2 indicates that 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid. Following Lipinski's Rule of Five, 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid?
The CAS number of 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid is 159427-77-7.
What is the molecular formula of 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid?
The molecular formula of 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid is C6H5N3O6.
What is the molecular weight of 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid?
The molecular weight of 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid is 215.01784 g/mol.
Where can I buy 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid?
You can request a quote for 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.