3-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile
TL;DR: 3-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile (CAS 219930-67-3) is a chemical compound with molecular formula C10H7N5O2 and molecular weight 229.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1-(4-nitrophenyl)pyrazole-4-carbonitrile
Also Known As: 3-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile, Maybridge1_001896, 3-amino-1-(4-nitrophenyl)pyrazole-4-carbonitrile, 3-amino-4-cyano-1-(4-nitro-phenyl)-1H-pyrazole, 1H-Pyrazole-4-carbonitrile,3-amino-1-(4-nitrophenyl)-
| Molecular Formula | C10H7N5O2 |
|---|---|
| Molecular Weight | 229.06 g/mol |
| LogP | 1.23438 |
| Topological Polar Surface Area | 110.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.05997 |
| Heavy Atoms | 17 |
| Complexity | 608.61676 |
Chemical Identifiers
| CAS Number | 219930-67-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C=C(C(=N2)N)C#N)[N+](=O)[O-] |
Product Overview
3-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile (CAS 219930-67-3), with molecular formula C10H7N5O2 and molecular weight 229.06 g/mol. IUPAC: 3-amino-1-(4-nitrophenyl)pyrazole-4-carbonitrile.
Chemical Property Profile of 3-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile
Property Insights of 3-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile
The XLogP value of 1.23438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile. The TPSA of 110.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 3-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile 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 3-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile?
The CAS number of 3-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile is 219930-67-3.
What is the molecular formula of 3-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile?
The molecular formula of 3-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile is C10H7N5O2.
What is the molecular weight of 3-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile?
The molecular weight of 3-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile is 229.06 g/mol.
Where can I buy 3-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile?
You can request a quote for 3-amino-1-(4-nitrophenyl)-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 3-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.