5-Amino-4-cyano-1-(2,2-diethoxyethyl)pyrazole
TL;DR: 5-Amino-4-cyano-1-(2,2-diethoxyethyl)pyrazole (CAS 91296-17-2) is a chemical compound with molecular formula C10H16N4O2 and molecular weight 224.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-(2,2-diethoxyethyl)pyrazole-4-carbonitrile
Also Known As: 5-amino-4-cyano-1-(2,2-diethoxyethyl)pyrazole, 5-amino-1-(2,2-diethoxyethyl)pyrazole-4-carbonitrile, 5-amino-4-cyano-1-(2,2-diethoxyethyl)-pyrazole, 5-Amino-1-(2,2-diethoxyethyl)-1H-pyrazole-4-carbonitrile
| Molecular Formula | C10H16N4O2 |
|---|---|
| Molecular Weight | 224.13 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.12732 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 91296-17-2 |
|---|---|
| SMILES | CCOC(CN1C(=C(C=N1)C#N)N)OCC |
| InChIKey | UDYIMDLENVIMQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Amino-4-cyano-1-(2,2-diethoxyethyl)pyrazole (CAS 91296-17-2), with molecular formula C10H16N4O2 and molecular weight 224.13 g/mol. IUPAC: 5-amino-1-(2,2-diethoxyethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of 5-Amino-4-cyano-1-(2,2-diethoxyethyl)pyrazole
Property Insights of 5-Amino-4-cyano-1-(2,2-diethoxyethyl)pyrazole
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-4-cyano-1-(2,2-diethoxyethyl)pyrazole. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-4-cyano-1-(2,2-diethoxyethyl)pyrazole. Following Lipinski's Rule of Five, 5-Amino-4-cyano-1-(2,2-diethoxyethyl)pyrazole 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 5-Amino-4-cyano-1-(2,2-diethoxyethyl)pyrazole?
The CAS number of 5-Amino-4-cyano-1-(2,2-diethoxyethyl)pyrazole is 91296-17-2.
What is the molecular formula of 5-Amino-4-cyano-1-(2,2-diethoxyethyl)pyrazole?
The molecular formula of 5-Amino-4-cyano-1-(2,2-diethoxyethyl)pyrazole is C10H16N4O2.
What is the molecular weight of 5-Amino-4-cyano-1-(2,2-diethoxyethyl)pyrazole?
The molecular weight of 5-Amino-4-cyano-1-(2,2-diethoxyethyl)pyrazole is 224.13 g/mol.
Where can I buy 5-Amino-4-cyano-1-(2,2-diethoxyethyl)pyrazole?
You can request a quote for 5-Amino-4-cyano-1-(2,2-diethoxyethyl)pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-4-cyano-1-(2,2-diethoxyethyl)pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-4-cyano-1-(2,2-diethoxyethyl)pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.