![5-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile structure](/static/products/495/495403-67-3.png)
5-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile
TL;DR: 5-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile (CAS 495403-67-3) is a chemical compound with molecular formula C16H18N6 and molecular weight 294.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-(4-methylpiperazin-1-yl)methylideneamino]-1-phenylpyrazole-4-carbonitrile
Also Known As: AO-476/40672244, 5-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile, (E)-5-(((4-methylpiperazin-1-yl)methylene)amino)-1-phenyl-1H-pyrazole-4-carbonitrile, 5-[(E)-(4-methylpiperazin-1-yl)methylideneamino]-1-phenylpyrazole-4-carbonitrile, 5-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile
| Molecular Formula | C16H18N6 |
|---|---|
| Molecular Weight | 294.16 g/mol |
| LogP | 1.65118 |
| Topological Polar Surface Area | 60.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.1593 |
| Heavy Atoms | 22 |
| Complexity | 689.17126 |
Chemical Identifiers
| CAS Number | 495403-67-3 |
|---|---|
| SMILES | CN1CCN(CC1)/C=N/C2=C(C=NN2C3=CC=CC=C3)C#N |
Product Overview
5-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile (CAS 495403-67-3), with molecular formula C16H18N6 and molecular weight 294.16 g/mol. IUPAC: 5-[(E)-(4-methylpiperazin-1-yl)methylideneamino]-1-phenylpyrazole-4-carbonitrile.
Chemical Property Profile of 5-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile
Property Insights of 5-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile
The XLogP value of 1.65118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile. The TPSA of 60.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-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 5-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile?
The CAS number of 5-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile is 495403-67-3.
What is the molecular formula of 5-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile is C16H18N6.
What is the molecular weight of 5-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile is 294.16 g/mol.
Where can I buy 5-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-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-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(4-methyl-1-piperazinyl)methylene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.