![5-amino-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile structure](/static/products/716/716341-04-7.png)
5-amino-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile
TL;DR: 5-amino-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile (CAS 716341-04-7) is a chemical compound with molecular formula C12H6N6O3 and molecular weight 282.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-(3-nitrobenzoyl)pyrazole-3,4-dicarbonitrile
Also Known As: 5-amino-1-(3-nitrobenzoyl)pyrazole-3,4-dicarbonitrile, 5-amino-1-(3-nitrobenzoyl)-1H-pyrazole-3,4-dicarbonitrile, 5-amino-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile
| Molecular Formula | C12H6N6O3 |
|---|---|
| Molecular Weight | 282.05 g/mol |
| LogP | 0.80536 |
| Topological Polar Surface Area | 151.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.05014 |
| Heavy Atoms | 21 |
| Complexity | 839.65326 |
Chemical Identifiers
| CAS Number | 716341-04-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N2C(=C(C(=N2)C#N)C#N)N |
Product Overview
5-amino-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile (CAS 716341-04-7), with molecular formula C12H6N6O3 and molecular weight 282.05 g/mol. IUPAC: 5-amino-1-(3-nitrobenzoyl)pyrazole-3,4-dicarbonitrile.
Chemical Property Profile of 5-amino-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile
Property Insights of 5-amino-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile
The XLogP value of 0.80536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile. The TPSA of 151.63 Ų indicates high polarity, suggesting 5-amino-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-amino-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile has 1 hydrogen bond donor(s) and 7 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-nitrophenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile?
The CAS number of 5-amino-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile is 716341-04-7.
What is the molecular formula of 5-amino-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile?
The molecular formula of 5-amino-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile is C12H6N6O3.
What is the molecular weight of 5-amino-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile?
The molecular weight of 5-amino-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile is 282.05 g/mol.
Where can I buy 5-amino-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile?
You can request a quote for 5-amino-1-[(3-nitrophenyl)carbonyl]-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 5-amino-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-[(3-nitrophenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.