dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate
TL;DR: dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate (CAS 59694-23-4) is a chemical compound with molecular formula C7H7N3O6 and molecular weight 229.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate
Also Known As: dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate, 3,5-Dimethyl 4-nitro-1h-pyrazole-3,5-dicarboxylate, dimethyl 4-nitropyrazole-3,5-dicarboxylate, 4-Nitro-1H-pyrazole-3,5-dicarboxylic acid dimethyl ester, BAS 00920870
| Molecular Formula | C7H7N3O6 |
|---|---|
| Molecular Weight | 229.03 g/mol |
| LogP | -0.1089 |
| Topological Polar Surface Area | 124.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.03348 |
| Heavy Atoms | 16 |
| Complexity | 417.47467 |
Chemical Identifiers
| CAS Number | 59694-23-4 |
|---|---|
| SMILES | COC(=O)C1=C(C(=NN1)C(=O)OC)[N+](=O)[O-] |
Product Overview
dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate (CAS 59694-23-4), with molecular formula C7H7N3O6 and molecular weight 229.03 g/mol. IUPAC: dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate.
Chemical Property Profile of dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate
Property Insights of dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate
The XLogP value of -0.1089 indicates that dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.42 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate has 1 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 dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate?
The CAS number of dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate is 59694-23-4.
What is the molecular formula of dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate?
The molecular formula of dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate is C7H7N3O6.
What is the molecular weight of dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate?
The molecular weight of dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate is 229.03 g/mol.
Where can I buy dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate?
You can request a quote for dimethyl 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 dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.