3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid
TL;DR: 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid (CAS 890597-37-2) is a chemical compound with molecular formula C9H13ClN2O2 and molecular weight 216.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid
Also Known As: 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid, BAS 12661552, 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid, 3-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propionic acid, 3-(4-chloro-3,5-dimethylpyrazolyl)-2-methylpropanoic acid
| Molecular Formula | C9H13ClN2O2 |
|---|---|
| Molecular Weight | 216.07 g/mol |
| LogP | 1.87404 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.06656 |
| Heavy Atoms | 14 |
| Complexity | 359.9391 |
Chemical Identifiers
| CAS Number | 890597-37-2 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(C)C(=O)O)C)Cl |
Product Overview
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid (CAS 890597-37-2), with molecular formula C9H13ClN2O2 and molecular weight 216.07 g/mol. IUPAC: 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid.
Chemical Property Profile of 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid
Property Insights of 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid
The XLogP value of 1.87404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid?
The CAS number of 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid is 890597-37-2.
What is the molecular formula of 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid?
The molecular formula of 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid is C9H13ClN2O2.
What is the molecular weight of 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid?
The molecular weight of 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid is 216.07 g/mol.
Where can I buy 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid?
You can request a quote for 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.