![3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole structure](/static/products/150/1500099-89-7.webp)
3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole
TL;DR: 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole (CAS 1500099-89-7) is a chemical compound with molecular formula C12H9F3N2 and molecular weight 238.07178 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole
Also Known As: BIM-0004327.P001, J3.497.359H, (E)-3-styryl-5-(trifluoromethyl)-1H-pyrazole, 3-(2-phenylvinyl)-5-(trifluoromethyl)-1H-pyrazole, 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole
Technical Specifications
| Molecular Formula | C12H9F3N2 |
| Molecular Weight | 238.07178 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.07178 Da |
| Heavy Atoms | 17 |
| Complexity | 269.0 |
| SMILES | C1=CC=C(C=C1)/C=C/C2=NNC(=C2)C(F)(F)F |
| InChIKey | AQBZVFYCSSTAJO-VOTSOKGWSA-N |
Chemical Property Profile of 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole
Property Insights of 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole
The XLogP value of 3.4 indicates that 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.7 Ų, 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole 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-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole?
The CAS number of 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole is 1500099-89-7.
What is the molecular formula of 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole?
The molecular formula of 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole is C12H9F3N2.
What is the molecular weight of 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole?
The molecular weight of 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole is 238.07178 g/mol.
Where can I buy 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole?
You can request a quote for 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole?
Yes, CoreyChem provides custom synthesis services for 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.