5-amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile
TL;DR: 5-amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile (CAS 618070-68-1) is a chemical compound with molecular formula C10H7BrN4 and molecular weight 261.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-(4-bromophenyl)pyrazole-4-carbonitrile
Also Known As: 5-amino-1-(4-bromophenyl)-1h-pyrazole-4-carbonitrile, 5-amino-1-(4-bromophenyl)pyrazole-4-carbonitrile, 4-Mercapto-1H-pyrazolo[3,4-d]pyrimidine, 1H-Pyrazole-4-carbonitrile, 5-amino-1-(4-bromophenyl)-, 5-Amino-1-(4-bromo-phenyl)-1H-pyrazole-4-carbonitr
| Molecular Formula | C10H7BrN4 |
|---|---|
| Molecular Weight | 261.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.9854 |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 618070-68-1 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=C(C=N2)C#N)N)Br |
| InChIKey | VWTGKVYPKFTDSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile (CAS 618070-68-1), with molecular formula C10H7BrN4 and molecular weight 261.99 g/mol. IUPAC: 5-amino-1-(4-bromophenyl)pyrazole-4-carbonitrile.
Chemical Property Profile of 5-amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile
Property Insights of 5-amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile has 1 hydrogen bond donor(s) and 3 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-bromophenyl)-1H-pyrazole-4-carbonitrile?
The CAS number of 5-amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile is 618070-68-1.
What is the molecular formula of 5-amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile is C10H7BrN4.
What is the molecular weight of 5-amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile is 261.99 g/mol.
Where can I buy 5-amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-amino-1-(4-bromophenyl)-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-(4-bromophenyl)-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.