4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile
TL;DR: 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile (CAS 869663-55-8) is a chemical compound with molecular formula C14H16N4 and molecular weight 240.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-amino-3-tert-butylpyrazol-1-yl)benzonitrile
Also Known As: 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile, 4-(5-amino-3-tert-butylpyrazol-1-yl)benzonitrile, 4-(5-amino-3-tert-butyl-pyrazol-1-yl)-benzonitrile, 4-(5-amino-3-tert-butyl-pyrazol-1-yl)benzonitrile, 4-(5-Amino-3-(tert-butyl)-1h-pyrazol-1-yl)benzonitrile
| Molecular Formula | C14H16N4 |
|---|---|
| Molecular Weight | 240.14 g/mol |
| LogP | 2.62368 |
| Topological Polar Surface Area | 67.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.1375 |
| Heavy Atoms | 18 |
| Complexity | 594.2047 |
Chemical Identifiers
| CAS Number | 869663-55-8 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=C1)N)C2=CC=C(C=C2)C#N |
Product Overview
4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile (CAS 869663-55-8), with molecular formula C14H16N4 and molecular weight 240.14 g/mol. IUPAC: 4-(5-amino-3-tert-butylpyrazol-1-yl)benzonitrile.
Chemical Property Profile of 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile
Property Insights of 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile
The XLogP value of 2.62368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile. The TPSA of 67.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile. Following Lipinski's Rule of Five, 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile 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 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile?
The CAS number of 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile is 869663-55-8.
What is the molecular formula of 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile?
The molecular formula of 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile is C14H16N4.
What is the molecular weight of 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile?
The molecular weight of 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile is 240.14 g/mol.
Where can I buy 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile?
You can request a quote for 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.