3-Ethyl-1-methyl-4-nitro-1h-pyrazole-5-carboxylic acid
TL;DR: 3-Ethyl-1-methyl-4-nitro-1h-pyrazole-5-carboxylic acid (CAS 26308-41-8) is a chemical compound with molecular formula C7H9N3O4 and molecular weight 199.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-1-methyl-4-nitropyrazole-5-carboxylic acid
Also Known As: Sildenafil Impurity 228, 3-ethyl-1-methyl-4-nitro-1h-pyrazole-5-carboxylic acid, 5-ethyl-2-methyl-4-nitro-2 h-pyrazole-3-carboxylic acid, 5-ethyl-2-methyl-4-nitropyrazole-3-carboxylic acid, 5-ethyl-2-methyl-4-nitro-pyrazole-3-carboxylic Acid
| Molecular Formula | C7H9N3O4 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | 0.5889 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.05931 |
| Heavy Atoms | 14 |
| Complexity | 395.88434 |
Chemical Identifiers
| CAS Number | 26308-41-8 |
|---|---|
| SMILES | CCC1=NN(C(=C1[N+](=O)[O-])C(=O)O)C |
Product Overview
3-Ethyl-1-methyl-4-nitro-1h-pyrazole-5-carboxylic acid (CAS 26308-41-8), with molecular formula C7H9N3O4 and molecular weight 199.06 g/mol. IUPAC: 3-ethyl-1-methyl-4-nitropyrazole-5-carboxylic acid.
Chemical Property Profile of 3-Ethyl-1-methyl-4-nitro-1h-pyrazole-5-carboxylic acid
Property Insights of 3-Ethyl-1-methyl-4-nitro-1h-pyrazole-5-carboxylic acid
The XLogP value of 0.5889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-1-methyl-4-nitro-1h-pyrazole-5-carboxylic acid. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-1-methyl-4-nitro-1h-pyrazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3-Ethyl-1-methyl-4-nitro-1h-pyrazole-5-carboxylic acid has 1 hydrogen bond donor(s) and 4 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 3-Ethyl-1-methyl-4-nitro-1h-pyrazole-5-carboxylic acid?
The CAS number of 3-Ethyl-1-methyl-4-nitro-1h-pyrazole-5-carboxylic acid is 26308-41-8.
What is the molecular formula of 3-Ethyl-1-methyl-4-nitro-1h-pyrazole-5-carboxylic acid?
The molecular formula of 3-Ethyl-1-methyl-4-nitro-1h-pyrazole-5-carboxylic acid is C7H9N3O4.
What is the molecular weight of 3-Ethyl-1-methyl-4-nitro-1h-pyrazole-5-carboxylic acid?
The molecular weight of 3-Ethyl-1-methyl-4-nitro-1h-pyrazole-5-carboxylic acid is 199.06 g/mol.
Where can I buy 3-Ethyl-1-methyl-4-nitro-1h-pyrazole-5-carboxylic acid?
You can request a quote for 3-Ethyl-1-methyl-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 3-Ethyl-1-methyl-4-nitro-1h-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-1-methyl-4-nitro-1h-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.