![5-[bis(3,4-difluorobenzyl)amino]-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile structure](/static/products/957/957040-67-4.png)
5-[bis(3,4-difluorobenzyl)amino]-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile
TL;DR: 5-[bis(3,4-difluorobenzyl)amino]-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile (CAS 957040-67-4) is a chemical compound with molecular formula C25H18F4N4 and molecular weight 450.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[bis[(3,4-difluorophenyl)methyl]amino]-1-(4-methylphenyl)pyrazole-4-carbonitrile
Also Known As: 5-[bis(3,4-difluorobenzyl)amino]-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile, 5-[bis[(3,4-difluorophenyl)methyl]amino]-1-(4-methylphenyl)pyrazole-4-carbonitrile, 5-{bis[(3,4-difluorophenyl)methyl]amino}-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile, 5-{bis[(3,4-difluorophenyl)methyl]amino}-1-(4-methylphenyl)pyrazole-4-carbonitrile
| Molecular Formula | C25H18F4N4 |
|---|---|
| Molecular Weight | 450.15 g/mol |
| LogP | 5.8156 |
| Topological Polar Surface Area | 44.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.14676 |
| Heavy Atoms | 33 |
| Complexity | 1286.2668 |
Chemical Identifiers
| CAS Number | 957040-67-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)N(CC3=CC(=C(C=C3)F)F)CC4=CC(=C(C=C4)F)F |
Product Overview
5-[bis(3,4-difluorobenzyl)amino]-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile (CAS 957040-67-4), with molecular formula C25H18F4N4 and molecular weight 450.15 g/mol. IUPAC: 5-[bis[(3,4-difluorophenyl)methyl]amino]-1-(4-methylphenyl)pyrazole-4-carbonitrile.
Chemical Property Profile of 5-[bis(3,4-difluorobenzyl)amino]-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile
Property Insights of 5-[bis(3,4-difluorobenzyl)amino]-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile
The XLogP value of 5.8156 indicates that 5-[bis(3,4-difluorobenzyl)amino]-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.85 Ų, 5-[bis(3,4-difluorobenzyl)amino]-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[bis(3,4-difluorobenzyl)amino]-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[bis(3,4-difluorobenzyl)amino]-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile?
The CAS number of 5-[bis(3,4-difluorobenzyl)amino]-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile is 957040-67-4.
What is the molecular formula of 5-[bis(3,4-difluorobenzyl)amino]-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-[bis(3,4-difluorobenzyl)amino]-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile is C25H18F4N4.
What is the molecular weight of 5-[bis(3,4-difluorobenzyl)amino]-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-[bis(3,4-difluorobenzyl)amino]-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile is 450.15 g/mol.
Where can I buy 5-[bis(3,4-difluorobenzyl)amino]-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-[bis(3,4-difluorobenzyl)amino]-1-(4-methylphenyl)-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-[bis(3,4-difluorobenzyl)amino]-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-[bis(3,4-difluorobenzyl)amino]-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.