methyl 1,4-dinitro-1H-pyrazole-3-carboxylate
TL;DR: methyl 1,4-dinitro-1H-pyrazole-3-carboxylate (CAS 1002535-20-7) is a chemical compound with molecular formula C5H4N4O6 and molecular weight 216.01308 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1,4-dinitropyrazole-3-carboxylate
Also Known As: methyl 1,4-dinitro-1H-pyrazole-3-carboxylate, methyl 1,4-dinitropyrazole-3-carboxylate, 1,4-Dinitro-1H-pyrazole-3-carboxylic acid methyl ester, 1,4-dinitro-1 h-pyrazole-3-carboxylic acid methyl ester, 1,4-DINITRO-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYLESTER
Technical Specifications
| Molecular Formula | C5H4N4O6 |
| Molecular Weight | 216.01308 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.01308 Da |
| Heavy Atoms | 15 |
| Complexity | 295.0 |
| SMILES | COC(=O)C1=NN(C=C1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LZRLURANKDSXQO-UHFFFAOYSA-N |
Chemical Property Profile of methyl 1,4-dinitro-1H-pyrazole-3-carboxylate
Property Insights of methyl 1,4-dinitro-1H-pyrazole-3-carboxylate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1,4-dinitro-1H-pyrazole-3-carboxylate. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1,4-dinitro-1H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, methyl 1,4-dinitro-1H-pyrazole-3-carboxylate 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
What is the CAS number of methyl 1,4-dinitro-1H-pyrazole-3-carboxylate?
The CAS number of methyl 1,4-dinitro-1H-pyrazole-3-carboxylate is 1002535-20-7.
What is the molecular formula of methyl 1,4-dinitro-1H-pyrazole-3-carboxylate?
The molecular formula of methyl 1,4-dinitro-1H-pyrazole-3-carboxylate is C5H4N4O6.
What is the molecular weight of methyl 1,4-dinitro-1H-pyrazole-3-carboxylate?
The molecular weight of methyl 1,4-dinitro-1H-pyrazole-3-carboxylate is 216.01308 g/mol.
Where can I buy methyl 1,4-dinitro-1H-pyrazole-3-carboxylate?
You can request a quote for methyl 1,4-dinitro-1H-pyrazole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 1,4-dinitro-1H-pyrazole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 1,4-dinitro-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.