ethyl 3-amino-1H-pyrazole-4-carboxylate
TL;DR: ethyl 3-amino-1H-pyrazole-4-carboxylate (CAS 6994-25-8) is a chemical compound with molecular formula C6H9N3O2 and molecular weight 155.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-1H-pyrazole-4-carboxylate
Also Known As: ethyl 5-amino-1H-pyrazole-4-carboxylate, Ethyl 3-amino-1H-pyrazole-4-carboxylate, Ethyl 3-amino-4-pyrazolecarboxylate, 3-Amino-4-carbethoxypyrazole, ethyl APC
| Molecular Formula | C6H9N3O2 |
|---|---|
| Molecular Weight | 155.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 155.06947 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 6994-25-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NN=C1)N |
| InChIKey | YPXGHKWOJXQLQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 3-amino-1H-pyrazole-4-carboxylate (CAS 6994-25-8), with molecular formula C6H9N3O2 and molecular weight 155.07 g/mol. IUPAC: ethyl 5-amino-1H-pyrazole-4-carboxylate.
Chemical Property Profile of ethyl 3-amino-1H-pyrazole-4-carboxylate
Property Insights of ethyl 3-amino-1H-pyrazole-4-carboxylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-amino-1H-pyrazole-4-carboxylate. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-amino-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 3-amino-1H-pyrazole-4-carboxylate has 2 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 3-amino-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 3-amino-1H-pyrazole-4-carboxylate is 6994-25-8.
What is the molecular formula of ethyl 3-amino-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 3-amino-1H-pyrazole-4-carboxylate is C6H9N3O2.
What is the molecular weight of ethyl 3-amino-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 3-amino-1H-pyrazole-4-carboxylate is 155.07 g/mol.
Where can I buy ethyl 3-amino-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 3-amino-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 3-amino-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-amino-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.