Ethyl 3-amino-5-(ethylthio)-1H-pyrazole-4-carboxylate
TL;DR: Ethyl 3-amino-5-(ethylthio)-1H-pyrazole-4-carboxylate (CAS 1037765-43-7) is a chemical compound with molecular formula C8H13N3O2S and molecular weight 215.07285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-amino-3-ethylsulfanyl-1H-pyrazole-4-carboxylate
Also Known As: Ethyl 3-amino-5-(ethylthio)-1H-pyrazole-4-carboxylate, Ethyl 3-amino-5-ethylsulfanyl-2H-pyrazole-4-carboxylate, ethyl 5-amino-3-ethylsulfanyl-1H-pyrazole-4-carboxylate
Technical Specifications
| Molecular Formula | C8H13N3O2S |
| Molecular Weight | 215.07285 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 215.07285 Da |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
| SMILES | CCOC(=O)C1=C(NN=C1SCC)N |
| InChIKey | YFTTUVGQEGWWPZ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-amino-5-(ethylthio)-1H-pyrazole-4-carboxylate
Property Insights of Ethyl 3-amino-5-(ethylthio)-1H-pyrazole-4-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-5-(ethylthio)-1H-pyrazole-4-carboxylate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-amino-5-(ethylthio)-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-amino-5-(ethylthio)-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 3-amino-5-(ethylthio)-1H-pyrazole-4-carboxylate?
The CAS number of Ethyl 3-amino-5-(ethylthio)-1H-pyrazole-4-carboxylate is 1037765-43-7.
What is the molecular formula of Ethyl 3-amino-5-(ethylthio)-1H-pyrazole-4-carboxylate?
The molecular formula of Ethyl 3-amino-5-(ethylthio)-1H-pyrazole-4-carboxylate is C8H13N3O2S.
What is the molecular weight of Ethyl 3-amino-5-(ethylthio)-1H-pyrazole-4-carboxylate?
The molecular weight of Ethyl 3-amino-5-(ethylthio)-1H-pyrazole-4-carboxylate is 215.07285 g/mol.
Where can I buy Ethyl 3-amino-5-(ethylthio)-1H-pyrazole-4-carboxylate?
You can request a quote for Ethyl 3-amino-5-(ethylthio)-1H-pyrazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-amino-5-(ethylthio)-1H-pyrazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-amino-5-(ethylthio)-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.