3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid
TL;DR: 3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid (CAS 1006442-96-1) 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.
(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoic acid
Also Known As: 3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid, (2E)-3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid, (2E)-3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)acrylic acid, (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoic acid, 3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoic Acid
Technical Specifications
| Molecular Formula | C11H15ClN2O2 |
| Molecular Weight | 242.0822 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.0822 Da |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
| SMILES | CCCCN1C(=C(C(=N1)C)/C=C/C(=O)O)Cl |
| InChIKey | MWVDONPTZBRDPV-AATRIKPKSA-N |
Chemical Property Profile of 3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid
Property Insights of 3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 3-(1-butyl-5-chloro-3-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, 3-(1-butyl-5-chloro-3-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 3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid?
The CAS number of 3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid is 1006442-96-1.
What is the molecular formula of 3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid?
The molecular formula of 3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid is C11H15ClN2O2.
What is the molecular weight of 3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid?
The molecular weight of 3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid is 242.0822 g/mol.
Where can I buy 3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid?
You can request a quote for 3-(1-butyl-5-chloro-3-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 3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.