1-ethyl-4-nitro-1H-pyrazole-3-carboxylic acid
TL;DR: 1-ethyl-4-nitro-1H-pyrazole-3-carboxylic acid (CAS 1135225-24-9) is a chemical compound with molecular formula C6H7N3O4 and molecular weight 185.04366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethyl-4-nitropyrazole-3-carboxylic acid
Also Known As: 1-ethyl-4-nitro-1H-pyrazole-3-carboxylic acid, 1-ethyl-4-nitropyrazole-3-carboxylic acid, 1-Ethyl-4-nitro-pyrazole-3-carboxylic acid, 2640AE, 1-ethyl-4-nitro-1H-pyrazole-3-carboxylicacid
Technical Specifications
| Molecular Formula | C6H7N3O4 |
| Molecular Weight | 185.04366 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.04366 Da |
| Heavy Atoms | 13 |
| Complexity | 226.0 |
| SMILES | CCN1C=C(C(=N1)C(=O)O)[N+](=O)[O-] |
| InChIKey | SPZXMOFHJNSAAS-UHFFFAOYSA-N |
Chemical Property Profile of 1-ethyl-4-nitro-1H-pyrazole-3-carboxylic acid
Property Insights of 1-ethyl-4-nitro-1H-pyrazole-3-carboxylic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-4-nitro-1H-pyrazole-3-carboxylic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethyl-4-nitro-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-ethyl-4-nitro-1H-pyrazole-3-carboxylic acid has 1 hydrogen bond donor(s) and 5 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-ethyl-4-nitro-1H-pyrazole-3-carboxylic acid?
The CAS number of 1-ethyl-4-nitro-1H-pyrazole-3-carboxylic acid is 1135225-24-9.
What is the molecular formula of 1-ethyl-4-nitro-1H-pyrazole-3-carboxylic acid?
The molecular formula of 1-ethyl-4-nitro-1H-pyrazole-3-carboxylic acid is C6H7N3O4.
What is the molecular weight of 1-ethyl-4-nitro-1H-pyrazole-3-carboxylic acid?
The molecular weight of 1-ethyl-4-nitro-1H-pyrazole-3-carboxylic acid is 185.04366 g/mol.
Where can I buy 1-ethyl-4-nitro-1H-pyrazole-3-carboxylic acid?
You can request a quote for 1-ethyl-4-nitro-1H-pyrazole-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-ethyl-4-nitro-1H-pyrazole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-ethyl-4-nitro-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.