1-acetyl-5-amino-1H-pyrazole-3,4-dicarbonitrile
TL;DR: 1-acetyl-5-amino-1H-pyrazole-3,4-dicarbonitrile (CAS 89793-95-3) is a chemical compound with molecular formula C7H5N5O and molecular weight 175.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetyl-5-aminopyrazole-3,4-dicarbonitrile
Also Known As: 1-acetyl-5-amino-1H-pyrazole-3,4-dicarbonitrile, 1-acetyl-5-aminopyrazole-3,4-dicarbonitrile
| Molecular Formula | C7H5N5O |
|---|---|
| Molecular Weight | 175.05 g/mol |
| LogP | -0.13124 |
| Topological Polar Surface Area | 108.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.04941 |
| Heavy Atoms | 13 |
| Complexity | 444.67355 |
Chemical Identifiers
| CAS Number | 89793-95-3 |
|---|---|
| SMILES | CC(=O)N1C(=C(C(=N1)C#N)C#N)N |
Product Overview
1-acetyl-5-amino-1H-pyrazole-3,4-dicarbonitrile (CAS 89793-95-3), with molecular formula C7H5N5O and molecular weight 175.05 g/mol. IUPAC: 1-acetyl-5-aminopyrazole-3,4-dicarbonitrile.
Chemical Property Profile of 1-acetyl-5-amino-1H-pyrazole-3,4-dicarbonitrile
Property Insights of 1-acetyl-5-amino-1H-pyrazole-3,4-dicarbonitrile
The XLogP value of -0.13124 indicates that 1-acetyl-5-amino-1H-pyrazole-3,4-dicarbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-acetyl-5-amino-1H-pyrazole-3,4-dicarbonitrile. Following Lipinski's Rule of Five, 1-acetyl-5-amino-1H-pyrazole-3,4-dicarbonitrile 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 1-acetyl-5-amino-1H-pyrazole-3,4-dicarbonitrile?
The CAS number of 1-acetyl-5-amino-1H-pyrazole-3,4-dicarbonitrile is 89793-95-3.
What is the molecular formula of 1-acetyl-5-amino-1H-pyrazole-3,4-dicarbonitrile?
The molecular formula of 1-acetyl-5-amino-1H-pyrazole-3,4-dicarbonitrile is C7H5N5O.
What is the molecular weight of 1-acetyl-5-amino-1H-pyrazole-3,4-dicarbonitrile?
The molecular weight of 1-acetyl-5-amino-1H-pyrazole-3,4-dicarbonitrile is 175.05 g/mol.
Where can I buy 1-acetyl-5-amino-1H-pyrazole-3,4-dicarbonitrile?
You can request a quote for 1-acetyl-5-amino-1H-pyrazole-3,4-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-acetyl-5-amino-1H-pyrazole-3,4-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-acetyl-5-amino-1H-pyrazole-3,4-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.