3-methoxy-4-nitro-1H-pyrazole-5-carboxylic acid
TL;DR: 3-methoxy-4-nitro-1H-pyrazole-5-carboxylic acid (CAS 161235-54-7) is a chemical compound with molecular formula C5H5N3O5 and molecular weight 187.02292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methoxy-4-nitro-1H-pyrazole-5-carboxylic acid
Also Known As: 3-methoxy-4-nitro-1H-pyrazole-5-carboxylic acid, 5-methoxy-4-nitro-2H-pyrazole-3-carboxylic Acid, 5165AD, 1H-Pyrazole-3-carboxylic acid, 5-methoxy-4-nitro-, 3-methoxy-4-nitropyrazole-5-carboxylic acid
Technical Specifications
| Molecular Formula | C5H5N3O5 |
| Molecular Weight | 187.02292 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.02292 Da |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
| SMILES | COC1=NNC(=C1[N+](=O)[O-])C(=O)O |
| InChIKey | HJFXXMSEEKEXMZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-methoxy-4-nitro-1H-pyrazole-5-carboxylic acid
Property Insights of 3-methoxy-4-nitro-1H-pyrazole-5-carboxylic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methoxy-4-nitro-1H-pyrazole-5-carboxylic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methoxy-4-nitro-1H-pyrazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3-methoxy-4-nitro-1H-pyrazole-5-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 3-methoxy-4-nitro-1H-pyrazole-5-carboxylic acid?
The CAS number of 3-methoxy-4-nitro-1H-pyrazole-5-carboxylic acid is 161235-54-7.
What is the molecular formula of 3-methoxy-4-nitro-1H-pyrazole-5-carboxylic acid?
The molecular formula of 3-methoxy-4-nitro-1H-pyrazole-5-carboxylic acid is C5H5N3O5.
What is the molecular weight of 3-methoxy-4-nitro-1H-pyrazole-5-carboxylic acid?
The molecular weight of 3-methoxy-4-nitro-1H-pyrazole-5-carboxylic acid is 187.02292 g/mol.
Where can I buy 3-methoxy-4-nitro-1H-pyrazole-5-carboxylic acid?
You can request a quote for 3-methoxy-4-nitro-1H-pyrazole-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-methoxy-4-nitro-1H-pyrazole-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-methoxy-4-nitro-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.