3-Amino-1,2-ditert-butyl-5-oxopyrazole-4-carbonitrile
TL;DR: 3-Amino-1,2-ditert-butyl-5-oxopyrazole-4-carbonitrile (CAS 144609-33-6) is a chemical compound with molecular formula C12H20N4O and molecular weight 236.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1,2-ditert-butyl-5-oxopyrazole-4-carbonitrile
Also Known As: 3-amino-4-cyano-1,2-di-tert-butyl-3-pyrazolin-5-one, 3-amino-5-oxo-1,2-ditert-butyl-pyrazole-4-carbonitrile, 5-Amino-1,2-di-tert-butyl-3-oxo-4-pyrazoline-4-carbonitrile, 5-amino-1,2-di-tert-butyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carbonitrile
| Molecular Formula | C12H20N4O |
|---|---|
| Molecular Weight | 236.16 g/mol |
| LogP | 1.61368 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 236.16371 |
| Heavy Atoms | 17 |
| Complexity | 529.0579 |
Chemical Identifiers
| CAS Number | 144609-33-6 |
|---|---|
| SMILES | CC(C)(C)N1C(=C(C(=O)N1C(C)(C)C)C#N)N |
Product Overview
3-Amino-1,2-ditert-butyl-5-oxopyrazole-4-carbonitrile (CAS 144609-33-6), with molecular formula C12H20N4O and molecular weight 236.16 g/mol. IUPAC: 3-amino-1,2-ditert-butyl-5-oxopyrazole-4-carbonitrile.
Chemical Property Profile of 3-Amino-1,2-ditert-butyl-5-oxopyrazole-4-carbonitrile
Property Insights of 3-Amino-1,2-ditert-butyl-5-oxopyrazole-4-carbonitrile
The XLogP value of 1.61368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1,2-ditert-butyl-5-oxopyrazole-4-carbonitrile. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-1,2-ditert-butyl-5-oxopyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 3-Amino-1,2-ditert-butyl-5-oxopyrazole-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 3-Amino-1,2-ditert-butyl-5-oxopyrazole-4-carbonitrile?
The CAS number of 3-Amino-1,2-ditert-butyl-5-oxopyrazole-4-carbonitrile is 144609-33-6.
What is the molecular formula of 3-Amino-1,2-ditert-butyl-5-oxopyrazole-4-carbonitrile?
The molecular formula of 3-Amino-1,2-ditert-butyl-5-oxopyrazole-4-carbonitrile is C12H20N4O.
What is the molecular weight of 3-Amino-1,2-ditert-butyl-5-oxopyrazole-4-carbonitrile?
The molecular weight of 3-Amino-1,2-ditert-butyl-5-oxopyrazole-4-carbonitrile is 236.16 g/mol.
Where can I buy 3-Amino-1,2-ditert-butyl-5-oxopyrazole-4-carbonitrile?
You can request a quote for 3-Amino-1,2-ditert-butyl-5-oxopyrazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-1,2-ditert-butyl-5-oxopyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1,2-ditert-butyl-5-oxopyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.