5-Amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile
TL;DR: 5-Amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile (CAS 879458-93-2) is a chemical compound with molecular formula C13H9N5O2 and molecular weight 267.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile
Also Known As: 5-amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile, 5-amino-1-(4-methoxybenzoyl)-1H-pyrazole-3,4-dicarbonitrile, 5-Amino-1-(4-methoxy-benzoyl)-1H-pyrazole-3,4-dicarbonitrile, 5-amino-1-[(4-methoxyphenyl)carbonyl]-1H-pyrazole-3,4-dicarbonitrile
| Molecular Formula | C13H9N5O2 |
|---|---|
| Molecular Weight | 267.08 g/mol |
| LogP | 0.90576 |
| Topological Polar Surface Area | 117.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.07562 |
| Heavy Atoms | 20 |
| Complexity | 746.7943 |
Chemical Identifiers
| CAS Number | 879458-93-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)N2C(=C(C(=N2)C#N)C#N)N |
Product Overview
5-Amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile (CAS 879458-93-2), with molecular formula C13H9N5O2 and molecular weight 267.08 g/mol. IUPAC: 5-amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile.
Chemical Property Profile of 5-Amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile
Property Insights of 5-Amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile
The XLogP value of 0.90576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile. The TPSA of 117.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile. Following Lipinski's Rule of Five, 5-Amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile 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-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile?
The CAS number of 5-Amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile is 879458-93-2.
What is the molecular formula of 5-Amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile?
The molecular formula of 5-Amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile is C13H9N5O2.
What is the molecular weight of 5-Amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile?
The molecular weight of 5-Amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile is 267.08 g/mol.
Where can I buy 5-Amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile?
You can request a quote for 5-Amino-1-(4-methoxybenzoyl)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-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.