methyl 5-amino-4-cyano-3-methyl-1H-pyrazole-1-carboxylate
TL;DR: methyl 5-amino-4-cyano-3-methyl-1H-pyrazole-1-carboxylate (CAS 84095-94-3) is a chemical compound with molecular formula C7H8N4O2 and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-amino-4-cyano-3-methylpyrazole-1-carboxylate
Also Known As: methyl 5-amino-4-cyano-3-methyl-1H-pyrazole-1-carboxylate, methyl 5-amino-4-cyano-3-methylpyrazole-1-carboxylate
| Molecular Formula | C7H8N4O2 |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | 0.2599 |
| Topological Polar Surface Area | 93.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.06473 |
| Heavy Atoms | 13 |
| Complexity | 387.9322 |
Chemical Identifiers
| CAS Number | 84095-94-3 |
|---|---|
| SMILES | CC1=NN(C(=C1C#N)N)C(=O)OC |
Product Overview
methyl 5-amino-4-cyano-3-methyl-1H-pyrazole-1-carboxylate (CAS 84095-94-3), with molecular formula C7H8N4O2 and molecular weight 180.06 g/mol. IUPAC: methyl 5-amino-4-cyano-3-methylpyrazole-1-carboxylate.
Chemical Property Profile of methyl 5-amino-4-cyano-3-methyl-1H-pyrazole-1-carboxylate
Property Insights of methyl 5-amino-4-cyano-3-methyl-1H-pyrazole-1-carboxylate
The XLogP value of 0.2599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-amino-4-cyano-3-methyl-1H-pyrazole-1-carboxylate. The TPSA of 93.93 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-amino-4-cyano-3-methyl-1H-pyrazole-1-carboxylate. Following Lipinski's Rule of Five, methyl 5-amino-4-cyano-3-methyl-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-3-methyl-1H-pyrazole-1-carboxylate?
The CAS number of methyl 5-amino-4-cyano-3-methyl-1H-pyrazole-1-carboxylate is 84095-94-3.
What is the molecular formula of methyl 5-amino-4-cyano-3-methyl-1H-pyrazole-1-carboxylate?
The molecular formula of methyl 5-amino-4-cyano-3-methyl-1H-pyrazole-1-carboxylate is C7H8N4O2.
What is the molecular weight of methyl 5-amino-4-cyano-3-methyl-1H-pyrazole-1-carboxylate?
The molecular weight of methyl 5-amino-4-cyano-3-methyl-1H-pyrazole-1-carboxylate is 180.06 g/mol.
Where can I buy methyl 5-amino-4-cyano-3-methyl-1H-pyrazole-1-carboxylate?
You can request a quote for methyl 5-amino-4-cyano-3-methyl-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-3-methyl-1H-pyrazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-amino-4-cyano-3-methyl-1H-pyrazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.