ethyl 5-amino-1-(2,2-diethoxyethyl)-1H-pyrazole-4-carboxylate
TL;DR: ethyl 5-amino-1-(2,2-diethoxyethyl)-1H-pyrazole-4-carboxylate (CAS 222055-80-3) is a chemical compound with molecular formula C12H21N3O4 and molecular weight 271.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-1-(2,2-diethoxyethyl)pyrazole-4-carboxylate
Also Known As: ethyl 5-amino-1-(2,2-diethoxyethyl)-1H-pyrazole-4-carboxylate, ethyl 5-amino-1-(2,2-diethoxyethyl)pyrazole-4-carboxylate, 5-Amino-1-(2,2-diethoxy-ethyl)-1H-pyrazole-4-carboxylic acid ethyl ester
| Molecular Formula | C12H21N3O4 |
|---|---|
| Molecular Weight | 271.15 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 271.1532 |
| Heavy Atoms | 19 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 222055-80-3 |
|---|---|
| SMILES | CCOC(CN1C(=C(C=N1)C(=O)OCC)N)OCC |
| InChIKey | ZFSQZDNFNJVLJQ-UHFFFAOYSA-N |
Product Overview
ethyl 5-amino-1-(2,2-diethoxyethyl)-1H-pyrazole-4-carboxylate (CAS 222055-80-3), with molecular formula C12H21N3O4 and molecular weight 271.15 g/mol. IUPAC: ethyl 5-amino-1-(2,2-diethoxyethyl)pyrazole-4-carboxylate.
Chemical Property Profile of ethyl 5-amino-1-(2,2-diethoxyethyl)-1H-pyrazole-4-carboxylate
Property Insights of ethyl 5-amino-1-(2,2-diethoxyethyl)-1H-pyrazole-4-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-amino-1-(2,2-diethoxyethyl)-1H-pyrazole-4-carboxylate. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-amino-1-(2,2-diethoxyethyl)-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 5-amino-1-(2,2-diethoxyethyl)-1H-pyrazole-4-carboxylate has 1 hydrogen bond donor(s) and 6 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-(2,2-diethoxyethyl)-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 5-amino-1-(2,2-diethoxyethyl)-1H-pyrazole-4-carboxylate is 222055-80-3.
What is the molecular formula of ethyl 5-amino-1-(2,2-diethoxyethyl)-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 5-amino-1-(2,2-diethoxyethyl)-1H-pyrazole-4-carboxylate is C12H21N3O4.
What is the molecular weight of ethyl 5-amino-1-(2,2-diethoxyethyl)-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 5-amino-1-(2,2-diethoxyethyl)-1H-pyrazole-4-carboxylate is 271.15 g/mol.
Where can I buy ethyl 5-amino-1-(2,2-diethoxyethyl)-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 5-amino-1-(2,2-diethoxyethyl)-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-(2,2-diethoxyethyl)-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-amino-1-(2,2-diethoxyethyl)-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.