![(2E)-3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]acrylic acid structure](/static/products/1006/1006494-30-9.webp)
(2E)-3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]acrylic acid
TL;DR: (2E)-3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]acrylic acid (CAS 1006494-30-9) is a chemical compound with molecular formula C20H18N2O2 and molecular weight 318.13684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]prop-2-enoic acid
Also Known As: 3-(1-Benzyl-3-(p-tolyl)-1H-pyrazol-4-yl)acrylic acid, (2E)-3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]acrylic acid, (2E)-3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid, (E)-3-[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]prop-2-enoic acid, 3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid
Technical Specifications
| Molecular Formula | C20H18N2O2 |
| Molecular Weight | 318.13684 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.13684 Da |
| Heavy Atoms | 24 |
| Complexity | 437.0 |
| SMILES | CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)O)CC3=CC=CC=C3 |
| InChIKey | NIUCUIMSWMUESV-VAWYXSNFSA-N |
Chemical Property Profile of (2E)-3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]acrylic acid
Property Insights of (2E)-3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]acrylic acid
The XLogP value of 3.8 indicates that (2E)-3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]acrylic 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, (2E)-3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]acrylic 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 (2E)-3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]acrylic acid?
The CAS number of (2E)-3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]acrylic acid is 1006494-30-9.
What is the molecular formula of (2E)-3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]acrylic acid?
The molecular formula of (2E)-3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]acrylic acid is C20H18N2O2.
What is the molecular weight of (2E)-3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]acrylic acid?
The molecular weight of (2E)-3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]acrylic acid is 318.13684 g/mol.
Where can I buy (2E)-3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]acrylic acid?
You can request a quote for (2E)-3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]acrylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]acrylic acid?
Yes, CoreyChem provides custom synthesis services for (2E)-3-[1-benzyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.