![5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile structure](/static/products/5677/5677-45-2.webp)
5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
TL;DR: 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile (CAS 5677-45-2) is a chemical compound with molecular formula C20H13N5O2 and molecular weight 355.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
Also Known As: 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile, 5-amino-3-[2-(1,3-benzodioxol-5-yl)-1-cyanovinyl]-1-phenyl-1H-pyrazole-4-carbonitrile, 5-AMINO-3-[(1Z)-2-(2H-1,3-BENZODIOXOL-5-YL)-1-CYANOETH-1-EN-1-YL]-1-PHENYL-1H-PYRAZOLE-4-CARBONITRILE, 5-Amino-3-[(Z)-2-(2H-1,3-benzodioxol-5-yl)-1-cyanoethen-1-yl]-1-phenyl-1H-pyrazole-4-carbonitrile, RefChem:388719
| Molecular Formula | C20H13N5O2 |
|---|---|
| Molecular Weight | 355.11 g/mol |
| LogP | 3.11906 |
| Topological Polar Surface Area | 109.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.10693 |
| Heavy Atoms | 27 |
| Complexity | 1133.6593 |
Chemical Identifiers
| CAS Number | 5677-45-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C(\C#N)/C3=NN(C(=C3C#N)N)C4=CC=CC=C4 |
Product Overview
5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile (CAS 5677-45-2), with molecular formula C20H13N5O2 and molecular weight 355.11 g/mol. IUPAC: 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile.
Chemical Property Profile of 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
Property Insights of 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
The XLogP value of 3.11906 indicates that 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile has 1 hydrogen bond donor(s) and 6 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-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile?
The CAS number of 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile is 5677-45-2.
What is the molecular formula of 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile?
The molecular formula of 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile is C20H13N5O2.
What is the molecular weight of 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile?
The molecular weight of 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile is 355.11 g/mol.
Where can I buy 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile?
You can request a quote for 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-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-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-3-[(Z)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.