4-nitro-1H-pyrazole-3,5-dicarboxylic acid
TL;DR: 4-nitro-1H-pyrazole-3,5-dicarboxylic acid (CAS 62078-43-7) is a chemical compound with molecular formula C5H3N3O6 and molecular weight 201.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1H-pyrazole-3,5-dicarboxylic acid
Also Known As: 4-nitro-1H-pyrazole-3,5-dicarboxylic acid, 4-nitropyrazole-3,5-dicarboxylic acid, ZERO/008141, 4-nitro-1H-pyrazole-3,5-dicarboxylicacid, A4141/0176480
| Molecular Formula | C5H3N3O6 |
|---|---|
| Molecular Weight | 201.00 g/mol |
| LogP | -0.2857 |
| Topological Polar Surface Area | 146.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.00218 |
| Heavy Atoms | 14 |
| Complexity | 389.6015 |
Chemical Identifiers
| CAS Number | 62078-43-7 |
|---|---|
| SMILES | C1(=C(NN=C1C(=O)O)C(=O)O)[N+](=O)[O-] |
Product Overview
4-nitro-1H-pyrazole-3,5-dicarboxylic acid (CAS 62078-43-7), with molecular formula C5H3N3O6 and molecular weight 201.00 g/mol. IUPAC: 4-nitro-1H-pyrazole-3,5-dicarboxylic acid.
Chemical Property Profile of 4-nitro-1H-pyrazole-3,5-dicarboxylic acid
Property Insights of 4-nitro-1H-pyrazole-3,5-dicarboxylic acid
The XLogP value of -0.2857 indicates that 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 146.42 Ų indicates high polarity, suggesting 4-nitro-1H-pyrazole-3,5-dicarboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-nitro-1H-pyrazole-3,5-dicarboxylic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-nitro-1H-pyrazole-3,5-dicarboxylic acid?
The CAS number of 4-nitro-1H-pyrazole-3,5-dicarboxylic acid is 62078-43-7.
What is the molecular formula of 4-nitro-1H-pyrazole-3,5-dicarboxylic acid?
The molecular formula of 4-nitro-1H-pyrazole-3,5-dicarboxylic acid is C5H3N3O6.
What is the molecular weight of 4-nitro-1H-pyrazole-3,5-dicarboxylic acid?
The molecular weight of 4-nitro-1H-pyrazole-3,5-dicarboxylic acid is 201.00 g/mol.
Where can I buy 4-nitro-1H-pyrazole-3,5-dicarboxylic acid?
You can request a quote for 4-nitro-1H-pyrazole-3,5-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitro-1H-pyrazole-3,5-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-1H-pyrazole-3,5-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.