1-Ethyl-4-nitro-1H-pyrazole-5-carboxylic acid
TL;DR: 1-Ethyl-4-nitro-1H-pyrazole-5-carboxylic acid (CAS 494793-46-3) is a chemical compound with molecular formula C6H7N3O4 and molecular weight 185.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-4-nitropyrazole-5-carboxylic acid
Also Known As: 1-Ethyl-4-nitro-1H-pyrazole-5-carboxylic acid, 2-ethyl-4-nitropyrazole-3-carboxylic acid, 2-Ethyl-4-nitro-pyrazole-3-carboxylic acid, 2-(4,4-dimethylpentan-2-yl)aniline, 1-ethyl-4-nitropyrazole-5-carboxylic acid
| Molecular Formula | C6H7N3O4 |
|---|---|
| Molecular Weight | 185.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.04366 |
| Heavy Atoms | 13 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 494793-46-3 |
|---|---|
| SMILES | CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)O |
| InChIKey | XGQDFPLXJYYOPA-UHFFFAOYSA-N |
Product Overview
1-Ethyl-4-nitro-1H-pyrazole-5-carboxylic acid (CAS 494793-46-3), with molecular formula C6H7N3O4 and molecular weight 185.04 g/mol. IUPAC: 1-ethyl-4-nitropyrazole-5-carboxylic acid.
Chemical Property Profile of 1-Ethyl-4-nitro-1H-pyrazole-5-carboxylic acid
Property Insights of 1-Ethyl-4-nitro-1H-pyrazole-5-carboxylic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-4-nitro-1H-pyrazole-5-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-5-carboxylic acid. Following Lipinski's Rule of Five, 1-Ethyl-4-nitro-1H-pyrazole-5-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
Frequently Asked Questions
What is the CAS number of 1-Ethyl-4-nitro-1H-pyrazole-5-carboxylic acid?
The CAS number of 1-Ethyl-4-nitro-1H-pyrazole-5-carboxylic acid is 494793-46-3.
What is the molecular formula of 1-Ethyl-4-nitro-1H-pyrazole-5-carboxylic acid?
The molecular formula of 1-Ethyl-4-nitro-1H-pyrazole-5-carboxylic acid is C6H7N3O4.
What is the molecular weight of 1-Ethyl-4-nitro-1H-pyrazole-5-carboxylic acid?
The molecular weight of 1-Ethyl-4-nitro-1H-pyrazole-5-carboxylic acid is 185.04 g/mol.
Where can I buy 1-Ethyl-4-nitro-1H-pyrazole-5-carboxylic acid?
You can request a quote for 1-Ethyl-4-nitro-1H-pyrazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-4-nitro-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-4-nitro-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.