ethyl 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylate
TL;DR: ethyl 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylate (CAS 1007513-67-8) is a chemical compound with molecular formula C9H12N4O2 and molecular weight 208.09602 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-amino-1-(2-cyanoethyl)pyrazole-4-carboxylate
Also Known As: ethyl 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylate, Ethyl 5-amino-1-(2-cyanoethyl)pyrazole-4-carboxylate, ethyl5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylate
Technical Specifications
| Molecular Formula | C9H12N4O2 |
| Molecular Weight | 208.09602 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 93.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.09602 Da |
| Heavy Atoms | 15 |
| Complexity | 273.0 |
| SMILES | CCOC(=O)C1=C(N(N=C1)CCC#N)N |
| InChIKey | LHWXEAUTYKWYFJ-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylate
Property Insights of ethyl 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylate. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylate has 1 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-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylate is 1007513-67-8.
What is the molecular formula of ethyl 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylate is C9H12N4O2.
What is the molecular weight of ethyl 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylate is 208.09602 g/mol.
Where can I buy ethyl 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 5-amino-1-(2-cyanoethyl)-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-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.