ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate
TL;DR: ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate (CAS 78208-68-1) is a chemical compound with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,3-dimethyl-4-nitropyrazole-5-carboxylate
Also Known As: ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate, ethyl 2,5-dimethyl-4-nitropyrazole-3-carboxylate, AKOS B006688, 2249AC, 2,5-Dimethyl-4-nitro-2H-pyrazole-3-carboxylic acid ethyl ester
| Molecular Formula | C8H11N3O4 |
|---|---|
| Molecular Weight | 213.07 g/mol |
| LogP | 0.81342 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.07495 |
| Heavy Atoms | 15 |
| Complexity | 410.26443 |
Chemical Identifiers
| CAS Number | 78208-68-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NN1C)C)[N+](=O)[O-] |
Product Overview
ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate (CAS 78208-68-1), with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol. IUPAC: ethyl 1,3-dimethyl-4-nitropyrazole-5-carboxylate.
Chemical Property Profile of ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate
Property Insights of ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate
The XLogP value of 0.81342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate has 0 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 ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate?
The CAS number of ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate is 78208-68-1.
What is the molecular formula of ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate?
The molecular formula of ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate is C8H11N3O4.
What is the molecular weight of ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate?
The molecular weight of ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate is 213.07 g/mol.
Where can I buy ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate?
You can request a quote for ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.