Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate
TL;DR: Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate (CAS 405-05-0) is a chemical compound with molecular formula C7H11N3O2 and molecular weight 169.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-1-methylpyrazole-4-carboxylate
Also Known As: Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate, Ethyl 5-amino-1-methylpyrazole-4-carboxylate, Maybridge1_003833, 5-amino-1-methyl-1h-pyrazole-4-carboxylic acid ethyl ester, 3-Fluoro-4-hydroxybenzaldehyde
| Molecular Formula | C7H11N3O2 |
|---|---|
| Molecular Weight | 169.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.08513 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 405-05-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C)N |
| InChIKey | MEUSJJFWVKBUFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate (CAS 405-05-0), with molecular formula C7H11N3O2 and molecular weight 169.09 g/mol. IUPAC: ethyl 5-amino-1-methylpyrazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate
Property Insights of Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate has 1 hydrogen bond donor(s) and 4 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 Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate?
The CAS number of Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate is 405-05-0.
What is the molecular formula of Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate?
The molecular formula of Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate is C7H11N3O2.
What is the molecular weight of Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate?
The molecular weight of Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate is 169.09 g/mol.
Where can I buy Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate?
You can request a quote for Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.