5-amino-1-(1H-benzimidazol-2-yl)-1H-pyrazole-4-carbonitrile
TL;DR: 5-amino-1-(1H-benzimidazol-2-yl)-1H-pyrazole-4-carbonitrile (CAS 58113-09-0) is a chemical compound with molecular formula C11H8N6 and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-(1H-benzimidazol-2-yl)pyrazole-4-carbonitrile
Also Known As: AS-871/12846605, 5-amino-1-benzimidazol-2-ylpyrazole-4-carbonitrile, 5-amino-1-(1H-benzimidazol-2-yl)-1H-pyrazole-4-carbonitrile, 5-amino-1-(1H-benzimidazol-2-yl)pyrazole-4-carbonitrile, 5-amino-1-(1H-benzo[d]imidazol-2-yl)-1H-pyrazole-4-carbonitrile
| Molecular Formula | C11H8N6 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.08104 |
| Heavy Atoms | 17 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 58113-09-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)N3C(=C(C=N3)C#N)N |
| InChIKey | UVOPZSYXOSROEV-UHFFFAOYSA-N |
Product Overview
5-amino-1-(1H-benzimidazol-2-yl)-1H-pyrazole-4-carbonitrile (CAS 58113-09-0), with molecular formula C11H8N6 and molecular weight 224.08 g/mol. IUPAC: 5-amino-1-(1H-benzimidazol-2-yl)pyrazole-4-carbonitrile.
Chemical Property Profile of 5-amino-1-(1H-benzimidazol-2-yl)-1H-pyrazole-4-carbonitrile
Property Insights of 5-amino-1-(1H-benzimidazol-2-yl)-1H-pyrazole-4-carbonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-(1H-benzimidazol-2-yl)-1H-pyrazole-4-carbonitrile. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-(1H-benzimidazol-2-yl)-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-amino-1-(1H-benzimidazol-2-yl)-1H-pyrazole-4-carbonitrile has 2 hydrogen bond donor(s) and 4 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-(1H-benzimidazol-2-yl)-1H-pyrazole-4-carbonitrile?
The CAS number of 5-amino-1-(1H-benzimidazol-2-yl)-1H-pyrazole-4-carbonitrile is 58113-09-0.
What is the molecular formula of 5-amino-1-(1H-benzimidazol-2-yl)-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-amino-1-(1H-benzimidazol-2-yl)-1H-pyrazole-4-carbonitrile is C11H8N6.
What is the molecular weight of 5-amino-1-(1H-benzimidazol-2-yl)-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-amino-1-(1H-benzimidazol-2-yl)-1H-pyrazole-4-carbonitrile is 224.08 g/mol.
Where can I buy 5-amino-1-(1H-benzimidazol-2-yl)-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-amino-1-(1H-benzimidazol-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-(1H-benzimidazol-2-yl)-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-(1H-benzimidazol-2-yl)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.