![3-[1-Benzyl-3-(thiophen-2-yl)-1h-pyrazol-4-yl]-n-butyl-2-cyanoprop-2-enamide structure](/static/products/121/1211958-70-1.webp)
3-[1-Benzyl-3-(thiophen-2-yl)-1h-pyrazol-4-yl]-n-butyl-2-cyanoprop-2-enamide
TL;DR: 3-[1-Benzyl-3-(thiophen-2-yl)-1h-pyrazol-4-yl]-n-butyl-2-cyanoprop-2-enamide (CAS 1211958-70-1) is a chemical compound with molecular formula C22H22N4OS and molecular weight 390.15143 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-butyl-2-cyanoprop-2-enamide
Also Known As: 3-[1-benzyl-3-(thiophen-2-yl)-1h-pyrazol-4-yl]-n-butyl-2-cyanoprop-2-enamide, (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-butyl-2-cyanoprop-2-enamide
Technical Specifications
| Molecular Formula | C22H22N4OS |
| Molecular Weight | 390.15143 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 390.15143 Da |
| Heavy Atoms | 28 |
| Complexity | 593.0 |
| SMILES | CCCCNC(=O)/C(=C/C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3)/C#N |
| InChIKey | BUNRIGJSYSAYDV-QGOAFFKASA-N |
Chemical Property Profile of 3-[1-Benzyl-3-(thiophen-2-yl)-1h-pyrazol-4-yl]-n-butyl-2-cyanoprop-2-enamide
Property Insights of 3-[1-Benzyl-3-(thiophen-2-yl)-1h-pyrazol-4-yl]-n-butyl-2-cyanoprop-2-enamide
The XLogP value of 4.1 indicates that 3-[1-Benzyl-3-(thiophen-2-yl)-1h-pyrazol-4-yl]-n-butyl-2-cyanoprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-Benzyl-3-(thiophen-2-yl)-1h-pyrazol-4-yl]-n-butyl-2-cyanoprop-2-enamide. Following Lipinski's Rule of Five, 3-[1-Benzyl-3-(thiophen-2-yl)-1h-pyrazol-4-yl]-n-butyl-2-cyanoprop-2-enamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[1-Benzyl-3-(thiophen-2-yl)-1h-pyrazol-4-yl]-n-butyl-2-cyanoprop-2-enamide?
The CAS number of 3-[1-Benzyl-3-(thiophen-2-yl)-1h-pyrazol-4-yl]-n-butyl-2-cyanoprop-2-enamide is 1211958-70-1.
What is the molecular formula of 3-[1-Benzyl-3-(thiophen-2-yl)-1h-pyrazol-4-yl]-n-butyl-2-cyanoprop-2-enamide?
The molecular formula of 3-[1-Benzyl-3-(thiophen-2-yl)-1h-pyrazol-4-yl]-n-butyl-2-cyanoprop-2-enamide is C22H22N4OS.
What is the molecular weight of 3-[1-Benzyl-3-(thiophen-2-yl)-1h-pyrazol-4-yl]-n-butyl-2-cyanoprop-2-enamide?
The molecular weight of 3-[1-Benzyl-3-(thiophen-2-yl)-1h-pyrazol-4-yl]-n-butyl-2-cyanoprop-2-enamide is 390.15143 g/mol.
Where can I buy 3-[1-Benzyl-3-(thiophen-2-yl)-1h-pyrazol-4-yl]-n-butyl-2-cyanoprop-2-enamide?
You can request a quote for 3-[1-Benzyl-3-(thiophen-2-yl)-1h-pyrazol-4-yl]-n-butyl-2-cyanoprop-2-enamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[1-Benzyl-3-(thiophen-2-yl)-1h-pyrazol-4-yl]-n-butyl-2-cyanoprop-2-enamide?
Yes, CoreyChem provides custom synthesis services for 3-[1-Benzyl-3-(thiophen-2-yl)-1h-pyrazol-4-yl]-n-butyl-2-cyanoprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.