![2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid structure](/static/products/957/957023-29-9.png)
2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid
TL;DR: 2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid (CAS 957023-29-9) is a chemical compound with molecular formula C11H18N2O2 and molecular weight 210.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid
Also Known As: 2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid, (1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)acetic acid, 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic Acid, 2-(1-Isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)acetic acid, 2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetic acid
| Molecular Formula | C11H18N2O2 |
|---|---|
| Molecular Weight | 210.14 g/mol |
| LogP | 1.78304 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.13683 |
| Heavy Atoms | 15 |
| Complexity | 366.90997 |
Chemical Identifiers
| CAS Number | 957023-29-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(C)C)C)CC(=O)O |
Product Overview
2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid (CAS 957023-29-9), with molecular formula C11H18N2O2 and molecular weight 210.14 g/mol. IUPAC: 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid.
Chemical Property Profile of 2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid
Property Insights of 2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid
The XLogP value of 1.78304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic 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 2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid?
The CAS number of 2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid is 957023-29-9.
What is the molecular formula of 2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid?
The molecular formula of 2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid is C11H18N2O2.
What is the molecular weight of 2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid?
The molecular weight of 2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid is 210.14 g/mol.
Where can I buy 2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid?
You can request a quote for 2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.