3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid
TL;DR: 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid (CAS 1196677-96-9) is a chemical compound with molecular formula C8H9ClN2O2 and molecular weight 200.03525 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid
Also Known As: 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid, 3-(5-CHLORO-1,3-DIMETHYL-1H-PYRAZOL-4-YL)ACRYLIC ACID, 3(-5-Chloro-1,3-dimethylpyrazol-4-yl)acrylic acid, 3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid, (E)-3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)-2-propenoic acid
Technical Specifications
| Molecular Formula | C8H9ClN2O2 |
| Molecular Weight | 200.03525 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.03525 Da |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
| SMILES | CC1=NN(C(=C1C=CC(=O)O)Cl)C |
| InChIKey | ODPSFNRSRKYGOG-UHFFFAOYSA-N |
Chemical Property Profile of 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid
Property Insights of 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-chloro-1,3-dimethyl-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 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid?
The CAS number of 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid is 1196677-96-9.
What is the molecular formula of 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid?
The molecular formula of 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid is C8H9ClN2O2.
What is the molecular weight of 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid?
The molecular weight of 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid is 200.03525 g/mol.
Where can I buy 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid?
You can request a quote for 3-(5-chloro-1,3-dimethyl-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 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.