5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile
TL;DR: 5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile (CAS 34803-68-4) is a chemical compound with molecular formula C8H12N4 and molecular weight 164.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-tert-butylpyrazole-4-carbonitrile
Also Known As: 5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile, Metoxepin, 5-Amino-1-(tert-butyl)-1H-pyrazole-4-carbonitrile, 5-amino-1-tert-butylpyrazole-4-carbonitrile, Maybridge3_000247
| Molecular Formula | C8H12N4 |
|---|---|
| Molecular Weight | 164.11 g/mol |
| LogP | 1.09198 |
| Topological Polar Surface Area | 67.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.1062 |
| Heavy Atoms | 12 |
| Complexity | 323.80756 |
Chemical Identifiers
| CAS Number | 34803-68-4 |
|---|---|
| SMILES | CC(C)(C)N1C(=C(C=N1)C#N)N |
Product Overview
5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile (CAS 34803-68-4), with molecular formula C8H12N4 and molecular weight 164.11 g/mol. IUPAC: 5-amino-1-tert-butylpyrazole-4-carbonitrile.
Chemical Property Profile of 5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile
Property Insights of 5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile
The XLogP value of 1.09198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile. The TPSA of 67.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile has 1 hydrogen bond donor(s) and 3 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-1-tert-butyl-1H-pyrazole-4-carbonitrile?
The CAS number of 5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile is 34803-68-4.
What is the molecular formula of 5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile is C8H12N4.
What is the molecular weight of 5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile is 164.11 g/mol.
Where can I buy 5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.