![3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid structure](/static/products/1006/1006494-59-2.webp)
3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid
TL;DR: 3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid (CAS 1006494-59-2) is a chemical compound with molecular formula C19H15ClN2O2 and molecular weight 338.0822 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid
Also Known As: 3-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic Acid, 3-[1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]prop-2-enoic acid, (2E)-3-[1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]acrylic acid
Technical Specifications
| Molecular Formula | C19H15ClN2O2 |
| Molecular Weight | 338.0822 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.0822 Da |
| Heavy Atoms | 24 |
| Complexity | 443.0 |
| SMILES | C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=C(C=C3)Cl)C=CC(=O)O |
| InChIKey | XKOYOZWWGPMEKE-UHFFFAOYSA-N |
Product Description
Applications: 3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid is a fine chemical identified by CAS number 1006494-59-2 and the molecular formula C19H15ClN2O2 and a molecular weight of 338.08 g/mol. Synonyms include 3-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic Acid and 3-[1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]prop-2-enoic acid.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid
Property Insights of 3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid
The XLogP value of 4.1 indicates that 3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid has 1 hydrogen bond donor(s) and 3 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-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid?
The CAS number of 3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid is 1006494-59-2.
What is the molecular formula of 3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid?
The molecular formula of 3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid is C19H15ClN2O2.
What is the molecular weight of 3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid?
The molecular weight of 3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid is 338.0822 g/mol.
What are the applications of 3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid?
3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full...
Where can I buy 3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid?
You can request a quote for 3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 3-[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.