5-amino-1-(3-nitropyridin-2-yl)-1H-pyrazole-4-carbonitrile
TL;DR: 5-amino-1-(3-nitropyridin-2-yl)-1H-pyrazole-4-carbonitrile (CAS 956754-94-2) is a chemical compound with molecular formula C9H6N6O2 and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-(3-nitro-2-pyridinyl)pyrazole-4-carbonitrile
Also Known As: 5-amino-1-(3-nitropyridin-2-yl)-1H-pyrazole-4-carbonitrile, 9977AC, 5-amino-1-(3-nitropyridin-2-yl)pyrazole-4-carbonitrile, aminonitropyridinylHpyrazolecarbonitrile, 4W-0330
| Molecular Formula | C9H6N6O2 |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 0.62938 |
| Topological Polar Surface Area | 123.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.05522 |
| Heavy Atoms | 17 |
| Complexity | 626.65656 |
Chemical Identifiers
| CAS Number | 956754-94-2 |
|---|---|
| SMILES | C1=CC(=C(N=C1)N2C(=C(C=N2)C#N)N)[N+](=O)[O-] |
Product Overview
5-amino-1-(3-nitropyridin-2-yl)-1H-pyrazole-4-carbonitrile (CAS 956754-94-2), with molecular formula C9H6N6O2 and molecular weight 230.06 g/mol. IUPAC: 5-amino-1-(3-nitro-2-pyridinyl)pyrazole-4-carbonitrile.
Chemical Property Profile of 5-amino-1-(3-nitropyridin-2-yl)-1H-pyrazole-4-carbonitrile
Property Insights of 5-amino-1-(3-nitropyridin-2-yl)-1H-pyrazole-4-carbonitrile
The XLogP value of 0.62938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-(3-nitropyridin-2-yl)-1H-pyrazole-4-carbonitrile. The TPSA of 123.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-(3-nitropyridin-2-yl)-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-amino-1-(3-nitropyridin-2-yl)-1H-pyrazole-4-carbonitrile has 1 hydrogen bond donor(s) and 6 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-(3-nitropyridin-2-yl)-1H-pyrazole-4-carbonitrile?
The CAS number of 5-amino-1-(3-nitropyridin-2-yl)-1H-pyrazole-4-carbonitrile is 956754-94-2.
What is the molecular formula of 5-amino-1-(3-nitropyridin-2-yl)-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-amino-1-(3-nitropyridin-2-yl)-1H-pyrazole-4-carbonitrile is C9H6N6O2.
What is the molecular weight of 5-amino-1-(3-nitropyridin-2-yl)-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-amino-1-(3-nitropyridin-2-yl)-1H-pyrazole-4-carbonitrile is 230.06 g/mol.
Where can I buy 5-amino-1-(3-nitropyridin-2-yl)-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-amino-1-(3-nitropyridin-2-yl)-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-(3-nitropyridin-2-yl)-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-(3-nitropyridin-2-yl)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.