methyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate
TL;DR: methyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate (CAS 265125-12-0) is a chemical compound with molecular formula C9H8N2O2S and molecular weight 208.03065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-thiophen-2-yl-1H-pyrazole-3-carboxylate
Also Known As: methyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate, methyl 3-thien-2-yl-1H-pyrazole-5-carboxylate, methyl 5-thien-2-yl-1H-pyrazole-3-carboxylate, methyl 5-(2-thienyl)-1H-pyrazole-3-carboxylate, methyl 5-thiophen-2-yl-1H-pyrazole-3-carboxylate
Technical Specifications
| Molecular Formula | C9H8N2O2S |
| Molecular Weight | 208.03065 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.03065 Da |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
| SMILES | COC(=O)C1=NNC(=C1)C2=CC=CS2 |
| InChIKey | WMQVLEDMXRRMMZ-UHFFFAOYSA-N |
Chemical Property Profile of methyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate
Property Insights of methyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate. Following Lipinski's Rule of Five, methyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate has 1 hydrogen bond donor(s) and 4 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 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate?
The CAS number of methyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate is 265125-12-0.
What is the molecular formula of methyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate?
The molecular formula of methyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate is C9H8N2O2S.
What is the molecular weight of methyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate?
The molecular weight of methyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate is 208.03065 g/mol.
Where can I buy methyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate?
You can request a quote for methyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.