Pyrazol-5-ol, 1-acetyl-3,4-dimethyl-, acetate (ester)
TL;DR: Pyrazol-5-ol, 1-acetyl-3,4-dimethyl-, acetate (ester) (CAS 5203-75-8) 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-acetyl-4,5-dimethylpyrazol-3-yl) acetate
Also Known As: 1-Acetyl-3,4-dimethyl-1H-pyrazol-5-yl acetate, (2-acetyl-4,5-dimethylpyrazol-3-yl) acetate, Pyrazol-5-ol, 1-acetyl-3,4-dimethyl-, acetate (ester), 1-Acetyl-3,4-dimethyl-1H-pyrazol-5-yl acetate #, Acetic acid (1-acetyl-3,4-dimethyl-1H-pyrazol-5-yl) ester
| Molecular Formula | C9H12N2O3 |
|---|---|
| Molecular Weight | 196.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.0848 |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 5203-75-8 |
|---|---|
| SMILES | CC1=C(N(N=C1C)C(=O)C)OC(=O)C |
| InChIKey | WAYBMZXUVXGEEZ-UHFFFAOYSA-N |
Product Overview
Pyrazol-5-ol, 1-acetyl-3,4-dimethyl-, acetate (ester) (CAS 5203-75-8), with molecular formula C9H12N2O3 and molecular weight 196.08 g/mol. IUPAC: (2-acetyl-4,5-dimethylpyrazol-3-yl) acetate.
Chemical Property Profile of Pyrazol-5-ol, 1-acetyl-3,4-dimethyl-, acetate (ester)
Property Insights of Pyrazol-5-ol, 1-acetyl-3,4-dimethyl-, acetate (ester)
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazol-5-ol, 1-acetyl-3,4-dimethyl-, acetate (ester). The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazol-5-ol, 1-acetyl-3,4-dimethyl-, acetate (ester). Following Lipinski's Rule of Five, Pyrazol-5-ol, 1-acetyl-3,4-dimethyl-, acetate (ester) has 0 hydrogen bond donor(s) and 4 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 Pyrazol-5-ol, 1-acetyl-3,4-dimethyl-, acetate (ester)?
The CAS number of Pyrazol-5-ol, 1-acetyl-3,4-dimethyl-, acetate (ester) is 5203-75-8.
What is the molecular formula of Pyrazol-5-ol, 1-acetyl-3,4-dimethyl-, acetate (ester)?
The molecular formula of Pyrazol-5-ol, 1-acetyl-3,4-dimethyl-, acetate (ester) is C9H12N2O3.
What is the molecular weight of Pyrazol-5-ol, 1-acetyl-3,4-dimethyl-, acetate (ester)?
The molecular weight of Pyrazol-5-ol, 1-acetyl-3,4-dimethyl-, acetate (ester) is 196.08 g/mol.
Where can I buy Pyrazol-5-ol, 1-acetyl-3,4-dimethyl-, acetate (ester)?
You can request a quote for Pyrazol-5-ol, 1-acetyl-3,4-dimethyl-, acetate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazol-5-ol, 1-acetyl-3,4-dimethyl-, acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Pyrazol-5-ol, 1-acetyl-3,4-dimethyl-, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.