3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic Acid
TL;DR: 3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic Acid (CAS 1613051-25-4) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic acid
Also Known As: 3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic Acid, (2E)-3-(1,3-dimethyl-1H-pyrazol-4-yl)acrylic acid, 3-(1,3-Dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid, (E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic acid, (2E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic acid
Technical Specifications
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.07423 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.07423 Da |
| Heavy Atoms | 12 |
| Complexity | 203.0 |
| SMILES | CC1=NN(C=C1C=CC(=O)O)C |
| InChIKey | LZUAQZPCFIJVEV-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic Acid
Property Insights of 3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic Acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic Acid. With a topological polar surface area (TPSA) of 55.1 Ų, 3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-dimethylpyrazol-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-(1,3-dimethylpyrazol-4-yl)prop-2-enoic Acid?
The CAS number of 3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic Acid is 1613051-25-4.
What is the molecular formula of 3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic Acid?
The molecular formula of 3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic Acid is C8H10N2O2.
What is the molecular weight of 3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic Acid?
The molecular weight of 3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic Acid is 166.07423 g/mol.
Where can I buy 3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic Acid?
You can request a quote for 3-(1,3-dimethylpyrazol-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-(1,3-dimethylpyrazol-4-yl)prop-2-enoic Acid?
Yes, CoreyChem provides custom synthesis services for 3-(1,3-dimethylpyrazol-4-yl)prop-2-enoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.