3-(5-Chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoic acid
TL;DR: 3-(5-Chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoic acid (CAS 1613051-23-2) is a chemical compound with molecular formula C11H15ClN2O2 and molecular weight 242.0822 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoic acid
Also Known As: (2E)-3-(5-chloro-1-isobutyl-3-methyl-1H-pyrazol-4-yl)acrylic acid, 3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoic Acid, (E)-3-(5-chloro-1-isobutyl-3-methyl-1H-pyrazol-4-yl)acrylic acid, 3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoic acid, (2E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]prop-2-enoic acid
Technical Specifications
| Molecular Formula | C11H15ClN2O2 |
| Molecular Weight | 242.0822 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.0822 Da |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
| SMILES | CC1=NN(C(=C1C=CC(=O)O)Cl)CC(C)C |
| InChIKey | APCNWLLTSMAPOL-UHFFFAOYSA-N |
Chemical Property Profile of 3-(5-Chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoic acid
Property Insights of 3-(5-Chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 3-(5-Chloro-1-isobutyl-3-methyl-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-isobutyl-3-methyl-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-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoic acid?
The CAS number of 3-(5-Chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoic acid is 1613051-23-2.
What is the molecular formula of 3-(5-Chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoic acid?
The molecular formula of 3-(5-Chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoic acid is C11H15ClN2O2.
What is the molecular weight of 3-(5-Chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoic acid?
The molecular weight of 3-(5-Chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoic acid is 242.0822 g/mol.
Where can I buy 3-(5-Chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoic acid?
You can request a quote for 3-(5-Chloro-1-isobutyl-3-methyl-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-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(5-Chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.