![5-{[(E)-azepan-1-ylmethylidene]amino}-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile structure](/static/products/956/956266-83-4.png)
5-{[(E)-azepan-1-ylmethylidene]amino}-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile
TL;DR: 5-{[(E)-azepan-1-ylmethylidene]amino}-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile (CAS 956266-83-4) is a chemical compound with molecular formula C18H21N5 and molecular weight 307.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-azepan-1-ylmethylideneamino]-1-(4-methylphenyl)pyrazole-4-carbonitrile
Also Known As: 5-{[(E)-azepan-1-ylmethylidene]amino}-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile, 5-[(1-azepanylmethylene)amino]-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile, 5-[(E)-azepan-1-ylmethylideneamino]-1-(4-methylphenyl)pyrazole-4-carbonitrile, REGID_for_CID_9587720
| Molecular Formula | C18H21N5 |
|---|---|
| Molecular Weight | 307.18 g/mol |
| LogP | 3.5882 |
| Topological Polar Surface Area | 57.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.1797 |
| Heavy Atoms | 23 |
| Complexity | 712.8605 |
Chemical Identifiers
| CAS Number | 956266-83-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)/N=C/N3CCCCCC3 |
Product Overview
5-{[(E)-azepan-1-ylmethylidene]amino}-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile (CAS 956266-83-4), with molecular formula C18H21N5 and molecular weight 307.18 g/mol. IUPAC: 5-[(E)-azepan-1-ylmethylideneamino]-1-(4-methylphenyl)pyrazole-4-carbonitrile.
Chemical Property Profile of 5-{[(E)-azepan-1-ylmethylidene]amino}-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile
Property Insights of 5-{[(E)-azepan-1-ylmethylidene]amino}-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile
The XLogP value of 3.5882 indicates that 5-{[(E)-azepan-1-ylmethylidene]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 57.21 Ų, 5-{[(E)-azepan-1-ylmethylidene]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-{[(E)-azepan-1-ylmethylidene]amino}-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile has 0 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-{[(E)-azepan-1-ylmethylidene]amino}-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile?
The CAS number of 5-{[(E)-azepan-1-ylmethylidene]amino}-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile is 956266-83-4.
What is the molecular formula of 5-{[(E)-azepan-1-ylmethylidene]amino}-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-{[(E)-azepan-1-ylmethylidene]amino}-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile is C18H21N5.
What is the molecular weight of 5-{[(E)-azepan-1-ylmethylidene]amino}-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-{[(E)-azepan-1-ylmethylidene]amino}-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile is 307.18 g/mol.
Where can I buy 5-{[(E)-azepan-1-ylmethylidene]amino}-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-{[(E)-azepan-1-ylmethylidene]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-{[(E)-azepan-1-ylmethylidene]amino}-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(E)-azepan-1-ylmethylidene]amino}-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.