Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate
TL;DR: Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate (CAS 1002535-10-5) is a chemical compound with molecular formula C10H13N3O6 and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-methyl-4-nitropyrazole-3,5-dicarboxylate
Also Known As: Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate, diethyl 1-methyl-4-nitropyrazole-3,5-dicarboxylate, Diethyl1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate, 3,5-Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate, 1-methyl-4-nitro-1 h-pyrazole-3,5-dicarboxylic acid diethyl ester
| Molecular Formula | C10H13N3O6 |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 0.6817 |
| Topological Polar Surface Area | 113.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.08044 |
| Heavy Atoms | 19 |
| Complexity | 521.57983 |
Chemical Identifiers
| CAS Number | 1002535-10-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NN1C)C(=O)OCC)[N+](=O)[O-] |
Product Overview
Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate (CAS 1002535-10-5), with molecular formula C10H13N3O6 and molecular weight 271.08 g/mol. IUPAC: diethyl 1-methyl-4-nitropyrazole-3,5-dicarboxylate.
Chemical Property Profile of Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate
Property Insights of Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate
The XLogP value of 0.6817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate. The TPSA of 113.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate has 0 hydrogen bond donor(s) and 7 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 Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate?
The CAS number of Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate is 1002535-10-5.
What is the molecular formula of Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate?
The molecular formula of Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate is C10H13N3O6.
What is the molecular weight of Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate?
The molecular weight of Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate is 271.08 g/mol.
Where can I buy Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate?
You can request a quote for Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.