(2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoic acid
TL;DR: (2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoic acid (CAS 146098-29-5) is a chemical compound with molecular formula C7H8N2O2 and molecular weight 152.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(1-methylpyrazol-4-yl)prop-2-enoic acid
Also Known As: null, (2E)-3-(1-methyl-1H-pyrazol-4-yl)acrylic acid, (E)-3-(1-Methyl-1H-pyrazol-4-yl)acrylic acid, HmuD@AdDR[VWFVfejAFP, (E)-3-(1-methylpyrazol-4-yl)prop-2-enoic acid
Technical Specifications
| Molecular Formula | C7H8N2O2 |
| Molecular Weight | 152.05858 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.05858 Da |
| Heavy Atoms | 11 |
| Complexity | 179.0 |
| SMILES | CN1C=C(C=N1)/C=C/C(=O)O |
| InChIKey | PTIQETSIDLDEMZ-NSCUHMNNSA-N |
Chemical Property Profile of (2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoic acid
Property Insights of (2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 55.1 Ų, (2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(1-methyl-1H-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 (2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoic acid?
The CAS number of (2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoic acid is 146098-29-5.
What is the molecular formula of (2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoic acid?
The molecular formula of (2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoic acid is C7H8N2O2.
What is the molecular weight of (2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoic acid?
The molecular weight of (2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoic acid is 152.05858 g/mol.
Where can I buy (2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoic acid?
You can request a quote for (2E)-3-(1-methyl-1H-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 (2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for (2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.