(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-YL)acetic acid
TL;DR: (4-Acetyl-3,5-dimethyl-1H-pyrazol-1-YL)acetic acid (CAS 890092-87-2) is a chemical compound with molecular formula C9H12N2O3 and molecular weight 196.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetic acid
Also Known As: (4-ACETYL-3,5-DIMETHYL-1H-PYRAZOL-1-YL)ACETIC ACID, -ACETICACID, (4-Acetyl-3,5-dimethyl-pyrazol-1-yl)-acetic acid, 2-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid, 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetic acid
| Molecular Formula | C9H12N2O3 |
|---|---|
| Molecular Weight | 196.08 g/mol |
| LogP | 0.78714 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.0848 |
| Heavy Atoms | 14 |
| Complexity | 393.00647 |
Chemical Identifiers
| CAS Number | 890092-87-2 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)O)C)C(=O)C |
Product Overview
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-YL)acetic acid (CAS 890092-87-2), with molecular formula C9H12N2O3 and molecular weight 196.08 g/mol. IUPAC: 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetic acid.
Chemical Property Profile of (4-Acetyl-3,5-dimethyl-1H-pyrazol-1-YL)acetic acid
Property Insights of (4-Acetyl-3,5-dimethyl-1H-pyrazol-1-YL)acetic acid
The XLogP value of 0.78714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Acetyl-3,5-dimethyl-1H-pyrazol-1-YL)acetic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Acetyl-3,5-dimethyl-1H-pyrazol-1-YL)acetic acid. Following Lipinski's Rule of Five, (4-Acetyl-3,5-dimethyl-1H-pyrazol-1-YL)acetic 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
Frequently Asked Questions
What is the CAS number of (4-Acetyl-3,5-dimethyl-1H-pyrazol-1-YL)acetic acid?
The CAS number of (4-Acetyl-3,5-dimethyl-1H-pyrazol-1-YL)acetic acid is 890092-87-2.
What is the molecular formula of (4-Acetyl-3,5-dimethyl-1H-pyrazol-1-YL)acetic acid?
The molecular formula of (4-Acetyl-3,5-dimethyl-1H-pyrazol-1-YL)acetic acid is C9H12N2O3.
What is the molecular weight of (4-Acetyl-3,5-dimethyl-1H-pyrazol-1-YL)acetic acid?
The molecular weight of (4-Acetyl-3,5-dimethyl-1H-pyrazol-1-YL)acetic acid is 196.08 g/mol.
Where can I buy (4-Acetyl-3,5-dimethyl-1H-pyrazol-1-YL)acetic acid?
You can request a quote for (4-Acetyl-3,5-dimethyl-1H-pyrazol-1-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 (4-Acetyl-3,5-dimethyl-1H-pyrazol-1-YL)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Acetyl-3,5-dimethyl-1H-pyrazol-1-YL)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.