![5-[2-(chloromethyl)-5-methylthiophen-3-yl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole structure](/static/products/165/165066-20-6.webp)
5-[2-(chloromethyl)-5-methylthiophen-3-yl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole
TL;DR: 5-[2-(chloromethyl)-5-methylthiophen-3-yl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole (CAS 165066-20-6) is a chemical compound with molecular formula C21H18ClN3O2S and molecular weight 411.0808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-(chloromethyl)-5-methylthiophen-3-yl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole
Also Known As: 5-[2-(chloromethyl)-5-methylthiophen-3-yl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole, 3-(2-(chloromethyl)-5-methylthiophen-3-yl)-1-(4-nitrophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
Technical Specifications
| Molecular Formula | C21H18ClN3O2S |
| Molecular Weight | 411.0808 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 89.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.0808 Da |
| Heavy Atoms | 28 |
| Complexity | 585.0 |
| SMILES | CC1=CC(=C(S1)CCl)C2=NN(C(C2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | YNKOHNKTVGDZID-UHFFFAOYSA-N |
Chemical Property Profile of 5-[2-(chloromethyl)-5-methylthiophen-3-yl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole
Property Insights of 5-[2-(chloromethyl)-5-methylthiophen-3-yl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole
The XLogP value of 5.4 indicates that 5-[2-(chloromethyl)-5-methylthiophen-3-yl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[2-(chloromethyl)-5-methylthiophen-3-yl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole. Following Lipinski's Rule of Five, 5-[2-(chloromethyl)-5-methylthiophen-3-yl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 5-[2-(chloromethyl)-5-methylthiophen-3-yl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole?
The CAS number of 5-[2-(chloromethyl)-5-methylthiophen-3-yl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole is 165066-20-6.
What is the molecular formula of 5-[2-(chloromethyl)-5-methylthiophen-3-yl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole?
The molecular formula of 5-[2-(chloromethyl)-5-methylthiophen-3-yl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole is C21H18ClN3O2S.
What is the molecular weight of 5-[2-(chloromethyl)-5-methylthiophen-3-yl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole?
The molecular weight of 5-[2-(chloromethyl)-5-methylthiophen-3-yl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole is 411.0808 g/mol.
Where can I buy 5-[2-(chloromethyl)-5-methylthiophen-3-yl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole?
You can request a quote for 5-[2-(chloromethyl)-5-methylthiophen-3-yl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-[2-(chloromethyl)-5-methylthiophen-3-yl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole?
Yes, CoreyChem provides custom synthesis services for 5-[2-(chloromethyl)-5-methylthiophen-3-yl]-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.