5-amino-3-((4-methoxyphenyl)amino)-1H-pyrazole-4-carbonitrile
TL;DR: 5-amino-3-((4-methoxyphenyl)amino)-1H-pyrazole-4-carbonitrile (CAS 488721-72-8) is a chemical compound with molecular formula C11H11N5O and molecular weight 229.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-(4-methoxyanilino)-1H-pyrazole-4-carbonitrile
Also Known As: 5-amino-3-[(4-methoxyphenyl)amino]-1H-pyrazole-4-carbonitrile, 5-amino-3-(4-methoxyanilino)-1H-pyrazole-4-carbonitrile, 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(4-methoxyphenyl)amino]-, 5-amino-4-cyano-3-(4-methoxy-phenylamino)-pyrazole, 3-amino-5-(p-anisidino)-2H-pyrazole-4-carbonitrile
| Molecular Formula | C11H11N5O |
|---|---|
| Molecular Weight | 229.10 g/mol |
| LogP | 1.61578 |
| Topological Polar Surface Area | 99.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.09636 |
| Heavy Atoms | 17 |
| Complexity | 552.231 |
Chemical Identifiers
| CAS Number | 488721-72-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=NNC(=C2C#N)N |
Product Overview
5-amino-3-((4-methoxyphenyl)amino)-1H-pyrazole-4-carbonitrile (CAS 488721-72-8), with molecular formula C11H11N5O and molecular weight 229.10 g/mol. IUPAC: 5-amino-3-(4-methoxyanilino)-1H-pyrazole-4-carbonitrile.
Chemical Property Profile of 5-amino-3-((4-methoxyphenyl)amino)-1H-pyrazole-4-carbonitrile
Property Insights of 5-amino-3-((4-methoxyphenyl)amino)-1H-pyrazole-4-carbonitrile
The XLogP value of 1.61578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-3-((4-methoxyphenyl)amino)-1H-pyrazole-4-carbonitrile. The TPSA of 99.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-3-((4-methoxyphenyl)amino)-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-amino-3-((4-methoxyphenyl)amino)-1H-pyrazole-4-carbonitrile has 3 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 5-amino-3-((4-methoxyphenyl)amino)-1H-pyrazole-4-carbonitrile?
The CAS number of 5-amino-3-((4-methoxyphenyl)amino)-1H-pyrazole-4-carbonitrile is 488721-72-8.
What is the molecular formula of 5-amino-3-((4-methoxyphenyl)amino)-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-amino-3-((4-methoxyphenyl)amino)-1H-pyrazole-4-carbonitrile is C11H11N5O.
What is the molecular weight of 5-amino-3-((4-methoxyphenyl)amino)-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-amino-3-((4-methoxyphenyl)amino)-1H-pyrazole-4-carbonitrile is 229.10 g/mol.
Where can I buy 5-amino-3-((4-methoxyphenyl)amino)-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-amino-3-((4-methoxyphenyl)amino)-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-3-((4-methoxyphenyl)amino)-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-3-((4-methoxyphenyl)amino)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.