3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate
TL;DR: 3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate (CAS 4077-76-3) is a chemical compound with molecular formula C7H8N2O4 and molecular weight 184.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1H-pyrazole-3,5-dicarboxylate
Also Known As: dimethyl 1H-pyrazole-3,5-dicarboxylate, Dimethyl Pyrazole-3,5-dicarboxylate, 3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate, dimethylpyrazoledicarboxylate, 3,5-bis(methoxyformyl)pyrazole
| Molecular Formula | C7H8N2O4 |
|---|---|
| Molecular Weight | 184.05 g/mol |
| LogP | -0.0171 |
| Topological Polar Surface Area | 81.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.0484 |
| Heavy Atoms | 13 |
| Complexity | 300.48846 |
Chemical Identifiers
| CAS Number | 4077-76-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=NN1)C(=O)OC |
Product Overview
3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate (CAS 4077-76-3), with molecular formula C7H8N2O4 and molecular weight 184.05 g/mol. IUPAC: dimethyl 1H-pyrazole-3,5-dicarboxylate.
Chemical Property Profile of 3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate
Property Insights of 3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate
The XLogP value of -0.0171 indicates that 3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate. Following Lipinski's Rule of Five, 3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate 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 3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate?
The CAS number of 3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate is 4077-76-3.
What is the molecular formula of 3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate?
The molecular formula of 3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate is C7H8N2O4.
What is the molecular weight of 3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate?
The molecular weight of 3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate is 184.05 g/mol.
Where can I buy 3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate?
You can request a quote for 3,5-dimethyl 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 3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.