ethyl 5-amino-3-(methylthio)-1H-pyrazole-4-carboxylate
TL;DR: ethyl 5-amino-3-(methylthio)-1H-pyrazole-4-carboxylate (CAS 1219817-46-5) is a chemical compound with molecular formula C7H11N3O2S and molecular weight 201.0572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-amino-3-methylsulfanyl-1H-pyrazole-4-carboxylate
Also Known As: ethyl 5-amino-3-(methylthio)-1H-pyrazole-4-carboxylate, ethyl 3-amino-5-(methylthio)-1H-pyrazole-4-carboxylate, ethyl 5-amino-3-(methylsulfanyl)-1H-pyrazole-4-carboxylate, ethyl 5-amino-3-methylsulfanyl-1H-pyrazole-4-carboxylate, BB 0242293
Technical Specifications
| Molecular Formula | C7H11N3O2S |
| Molecular Weight | 201.0572 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 201.0572 Da |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
| SMILES | CCOC(=O)C1=C(NN=C1SC)N |
| InChIKey | BHMFBKSVLSRJAT-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 5-amino-3-(methylthio)-1H-pyrazole-4-carboxylate
Property Insights of ethyl 5-amino-3-(methylthio)-1H-pyrazole-4-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-amino-3-(methylthio)-1H-pyrazole-4-carboxylate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-amino-3-(methylthio)-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 5-amino-3-(methylthio)-1H-pyrazole-4-carboxylate has 2 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 ethyl 5-amino-3-(methylthio)-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 5-amino-3-(methylthio)-1H-pyrazole-4-carboxylate is 1219817-46-5.
What is the molecular formula of ethyl 5-amino-3-(methylthio)-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 5-amino-3-(methylthio)-1H-pyrazole-4-carboxylate is C7H11N3O2S.
What is the molecular weight of ethyl 5-amino-3-(methylthio)-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 5-amino-3-(methylthio)-1H-pyrazole-4-carboxylate is 201.0572 g/mol.
Where can I buy ethyl 5-amino-3-(methylthio)-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 5-amino-3-(methylthio)-1H-pyrazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 5-amino-3-(methylthio)-1H-pyrazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 5-amino-3-(methylthio)-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.