(2E)-3-(1-Ethyl-5-methyl-1H-pyrazol-4-YL)-acryloyl chloride
TL;DR: (2E)-3-(1-Ethyl-5-methyl-1H-pyrazol-4-YL)-acryloyl chloride (CAS 1004644-49-8) is a chemical compound with molecular formula C9H11ClN2O and molecular weight 198.05598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl chloride
Also Known As: (2E)-3-(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)-ACRYLOYL CHLORIDE, 7175AC, (2E)-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)acryloyl chloride, (E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl chloride, (E)-3-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)acryloyl chloride
Technical Specifications
| Molecular Formula | C9H11ClN2O |
| Molecular Weight | 198.05598 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.05598 Da |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
| SMILES | CCN1C(=C(C=N1)/C=C/C(=O)Cl)C |
| InChIKey | FTFAZDYCVNYWQM-SNAWJCMRSA-N |
Chemical Property Profile of (2E)-3-(1-Ethyl-5-methyl-1H-pyrazol-4-YL)-acryloyl chloride
Property Insights of (2E)-3-(1-Ethyl-5-methyl-1H-pyrazol-4-YL)-acryloyl chloride
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(1-Ethyl-5-methyl-1H-pyrazol-4-YL)-acryloyl chloride. With a topological polar surface area (TPSA) of 34.9 Ų, (2E)-3-(1-Ethyl-5-methyl-1H-pyrazol-4-YL)-acryloyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(1-Ethyl-5-methyl-1H-pyrazol-4-YL)-acryloyl chloride has 0 hydrogen bond donor(s) and 2 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-Ethyl-5-methyl-1H-pyrazol-4-YL)-acryloyl chloride?
The CAS number of (2E)-3-(1-Ethyl-5-methyl-1H-pyrazol-4-YL)-acryloyl chloride is 1004644-49-8.
What is the molecular formula of (2E)-3-(1-Ethyl-5-methyl-1H-pyrazol-4-YL)-acryloyl chloride?
The molecular formula of (2E)-3-(1-Ethyl-5-methyl-1H-pyrazol-4-YL)-acryloyl chloride is C9H11ClN2O.
What is the molecular weight of (2E)-3-(1-Ethyl-5-methyl-1H-pyrazol-4-YL)-acryloyl chloride?
The molecular weight of (2E)-3-(1-Ethyl-5-methyl-1H-pyrazol-4-YL)-acryloyl chloride is 198.05598 g/mol.
Where can I buy (2E)-3-(1-Ethyl-5-methyl-1H-pyrazol-4-YL)-acryloyl chloride?
You can request a quote for (2E)-3-(1-Ethyl-5-methyl-1H-pyrazol-4-YL)-acryloyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-3-(1-Ethyl-5-methyl-1H-pyrazol-4-YL)-acryloyl chloride?
Yes, CoreyChem provides custom synthesis services for (2E)-3-(1-Ethyl-5-methyl-1H-pyrazol-4-YL)-acryloyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.