![3-(4-bromophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile structure](/static/products/4591/459152-95-5.webp)
3-(4-bromophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile
TL;DR: 3-(4-bromophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile (CAS 459152-95-5) is a chemical compound with molecular formula C14H13BrN4 and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-1,2,3,5,6,7-hexahydropyrazolo[1,2-a]pyrazole-6,7-dicarbonitrile
Also Known As: 3-(4-bromophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile, A3731/0158146, 5-(4-bromophenyl)-1,2,3,5,6,7-hexahydropyrazolo[1,2-a]pyrazole-6,7-dicarbonitrile, 3-(4-Bromo-phenyl)-tetrahydro-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile, 3-(4-bromophenyl)hexahydropyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile
| Molecular Formula | C14H13BrN4 |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 2.45846 |
| Topological Polar Surface Area | 54.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.03235 |
| Heavy Atoms | 19 |
| Complexity | 556.29407 |
Chemical Identifiers
| CAS Number | 459152-95-5 |
|---|---|
| SMILES | C1CN2C(C(C(N2C1)C3=CC=C(C=C3)Br)C#N)C#N |
Product Overview
3-(4-bromophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile (CAS 459152-95-5), with molecular formula C14H13BrN4 and molecular weight 316.03 g/mol. IUPAC: 5-(4-bromophenyl)-1,2,3,5,6,7-hexahydropyrazolo[1,2-a]pyrazole-6,7-dicarbonitrile.
Chemical Property Profile of 3-(4-bromophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile
Property Insights of 3-(4-bromophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile
The XLogP value of 2.45846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-bromophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile. With a topological polar surface area (TPSA) of 54.06 Ų, 3-(4-bromophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-bromophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile has 0 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 3-(4-bromophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile?
The CAS number of 3-(4-bromophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile is 459152-95-5.
What is the molecular formula of 3-(4-bromophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile?
The molecular formula of 3-(4-bromophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile is C14H13BrN4.
What is the molecular weight of 3-(4-bromophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile?
The molecular weight of 3-(4-bromophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile is 316.03 g/mol.
Where can I buy 3-(4-bromophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile?
You can request a quote for 3-(4-bromophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-bromophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromophenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.