Methyl 1-ethyl-5-methyl-4-nitropyrazole-3-carboxylate
TL;DR: Methyl 1-ethyl-5-methyl-4-nitropyrazole-3-carboxylate (CAS 159427-47-1) is a chemical compound with molecular formula C8H11N3O4 and molecular weight 213.07495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-ethyl-5-methyl-4-nitropyrazole-3-carboxylate
Also Known As: methyl 1-ethyl-5-methyl-4-nitropyrazole-3-carboxylate, Methyl 1-ethyl-5-methyl-4-nitro-pyrazole-3-carboxylate
Technical Specifications
| Molecular Formula | C8H11N3O4 |
| Molecular Weight | 213.07495 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.07495 Da |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
| SMILES | CCN1C(=C(C(=N1)C(=O)OC)[N+](=O)[O-])C |
| InChIKey | CHNSUDOJVRDSJL-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 1-ethyl-5-methyl-4-nitropyrazole-3-carboxylate
Property Insights of Methyl 1-ethyl-5-methyl-4-nitropyrazole-3-carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-ethyl-5-methyl-4-nitropyrazole-3-carboxylate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-ethyl-5-methyl-4-nitropyrazole-3-carboxylate. Following Lipinski's Rule of Five, Methyl 1-ethyl-5-methyl-4-nitropyrazole-3-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
What is the CAS number of Methyl 1-ethyl-5-methyl-4-nitropyrazole-3-carboxylate?
The CAS number of Methyl 1-ethyl-5-methyl-4-nitropyrazole-3-carboxylate is 159427-47-1.
What is the molecular formula of Methyl 1-ethyl-5-methyl-4-nitropyrazole-3-carboxylate?
The molecular formula of Methyl 1-ethyl-5-methyl-4-nitropyrazole-3-carboxylate is C8H11N3O4.
What is the molecular weight of Methyl 1-ethyl-5-methyl-4-nitropyrazole-3-carboxylate?
The molecular weight of Methyl 1-ethyl-5-methyl-4-nitropyrazole-3-carboxylate is 213.07495 g/mol.
Where can I buy Methyl 1-ethyl-5-methyl-4-nitropyrazole-3-carboxylate?
You can request a quote for Methyl 1-ethyl-5-methyl-4-nitropyrazole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 1-ethyl-5-methyl-4-nitropyrazole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 1-ethyl-5-methyl-4-nitropyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.