methyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate
TL;DR: methyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate (CAS 220131-57-7) is a chemical compound with molecular formula C6H6N4O2 and molecular weight 166.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-amino-4-cyanopyrazole-1-carboxylate
Also Known As: methyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate, methyl 5-amino-4-cyanopyrazole-1-carboxylate, Methyl 5-amino-4-cyano-pyrazole-1-carboxylate, 5-amino-4-cyano-1-methoxycarbonylpyrazole, methyl5-amino-4-cyano-1H-pyrazole-1-carboxylate
| Molecular Formula | C6H6N4O2 |
|---|---|
| Molecular Weight | 166.05 g/mol |
| LogP | -0.04852 |
| Topological Polar Surface Area | 93.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.04907 |
| Heavy Atoms | 12 |
| Complexity | 348.92032 |
Chemical Identifiers
| CAS Number | 220131-57-7 |
|---|---|
| SMILES | COC(=O)N1C(=C(C=N1)C#N)N |
Product Overview
methyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate (CAS 220131-57-7), with molecular formula C6H6N4O2 and molecular weight 166.05 g/mol. IUPAC: methyl 5-amino-4-cyanopyrazole-1-carboxylate.
Chemical Property Profile of methyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate
Property Insights of methyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate
The XLogP value of -0.04852 indicates that methyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.93 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate. Following Lipinski's Rule of Five, methyl 5-amino-4-cyano-1H-pyrazole-1-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
Frequently Asked Questions
What is the CAS number of methyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate?
The CAS number of methyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate is 220131-57-7.
What is the molecular formula of methyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate?
The molecular formula of methyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate is C6H6N4O2.
What is the molecular weight of methyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate?
The molecular weight of methyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate is 166.05 g/mol.
Where can I buy methyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate?
You can request a quote for methyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.