(E)-5-(((4-methylpiperazin-1-yl)methylene)amino)-1-(p-tolyl)-1H-pyrazole-4-carbonitrile
TL;DR: (E)-5-(((4-methylpiperazin-1-yl)methylene)amino)-1-(p-tolyl)-1H-pyrazole-4-carbonitrile (CAS 957512-03-7) is a chemical compound with molecular formula C17H20N6 and molecular weight 308.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-5-[(E)-(4-methylpiperazin-1-yl)methylideneamino]pyrazole-4-carbonitrile
Also Known As: (E)-5-(((4-methylpiperazin-1-yl)methylene)amino)-1-(p-tolyl)-1H-pyrazole-4-carbonitrile, 1-(4-methylphenyl)-5-[(E)-(4-methylpiperazin-1-yl)methylideneamino]pyrazole-4-carbonitrile, 1-(4-methylphenyl)-5-{[(4-methyl-1-piperazinyl)methylene]amino}-1H-pyrazole-4-carbonitrile, 1-(4-methylphenyl)-5-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-1H-pyrazole-4-carbonitrile
| Molecular Formula | C17H20N6 |
|---|---|
| Molecular Weight | 308.17 g/mol |
| LogP | 1.9596 |
| Topological Polar Surface Area | 60.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.17496 |
| Heavy Atoms | 23 |
| Complexity | 729.4343 |
Chemical Identifiers
| CAS Number | 957512-03-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)/N=C/N3CCN(CC3)C |
Product Overview
(E)-5-(((4-methylpiperazin-1-yl)methylene)amino)-1-(p-tolyl)-1H-pyrazole-4-carbonitrile (CAS 957512-03-7), with molecular formula C17H20N6 and molecular weight 308.17 g/mol. IUPAC: 1-(4-methylphenyl)-5-[(E)-(4-methylpiperazin-1-yl)methylideneamino]pyrazole-4-carbonitrile.
Chemical Property Profile of (E)-5-(((4-methylpiperazin-1-yl)methylene)amino)-1-(p-tolyl)-1H-pyrazole-4-carbonitrile
Property Insights of (E)-5-(((4-methylpiperazin-1-yl)methylene)amino)-1-(p-tolyl)-1H-pyrazole-4-carbonitrile
The XLogP value of 1.9596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(((4-methylpiperazin-1-yl)methylene)amino)-1-(p-tolyl)-1H-pyrazole-4-carbonitrile. The TPSA of 60.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(((4-methylpiperazin-1-yl)methylene)amino)-1-(p-tolyl)-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, (E)-5-(((4-methylpiperazin-1-yl)methylene)amino)-1-(p-tolyl)-1H-pyrazole-4-carbonitrile 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 (E)-5-(((4-methylpiperazin-1-yl)methylene)amino)-1-(p-tolyl)-1H-pyrazole-4-carbonitrile?
The CAS number of (E)-5-(((4-methylpiperazin-1-yl)methylene)amino)-1-(p-tolyl)-1H-pyrazole-4-carbonitrile is 957512-03-7.
What is the molecular formula of (E)-5-(((4-methylpiperazin-1-yl)methylene)amino)-1-(p-tolyl)-1H-pyrazole-4-carbonitrile?
The molecular formula of (E)-5-(((4-methylpiperazin-1-yl)methylene)amino)-1-(p-tolyl)-1H-pyrazole-4-carbonitrile is C17H20N6.
What is the molecular weight of (E)-5-(((4-methylpiperazin-1-yl)methylene)amino)-1-(p-tolyl)-1H-pyrazole-4-carbonitrile?
The molecular weight of (E)-5-(((4-methylpiperazin-1-yl)methylene)amino)-1-(p-tolyl)-1H-pyrazole-4-carbonitrile is 308.17 g/mol.
Where can I buy (E)-5-(((4-methylpiperazin-1-yl)methylene)amino)-1-(p-tolyl)-1H-pyrazole-4-carbonitrile?
You can request a quote for (E)-5-(((4-methylpiperazin-1-yl)methylene)amino)-1-(p-tolyl)-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 (E)-5-(((4-methylpiperazin-1-yl)methylene)amino)-1-(p-tolyl)-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(((4-methylpiperazin-1-yl)methylene)amino)-1-(p-tolyl)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.