3-Acetamido-1-phenyl-1H-pyrazol-5-yl acetate
TL;DR: 3-Acetamido-1-phenyl-1H-pyrazol-5-yl acetate (CAS 52472-96-5) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetamido-1-phenylpyrazol-5-yl) acetate
Also Known As: (5-acetamido-2-phenylpyrazol-3-yl) acetate, 3-Acetamido-1-phenyl-1H-pyrazol-5-yl acetate
| Molecular Formula | C13H13N3O3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.0957 |
| Heavy Atoms | 19 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 52472-96-5 |
|---|---|
| SMILES | CC(=O)NC1=NN(C(=C1)OC(=O)C)C2=CC=CC=C2 |
| InChIKey | XWIOSLJOEGHSAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetamido-1-phenyl-1H-pyrazol-5-yl acetate (CAS 52472-96-5), with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol. IUPAC: (3-acetamido-1-phenylpyrazol-5-yl) acetate.
Chemical Property Profile of 3-Acetamido-1-phenyl-1H-pyrazol-5-yl acetate
Property Insights of 3-Acetamido-1-phenyl-1H-pyrazol-5-yl acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetamido-1-phenyl-1H-pyrazol-5-yl acetate. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetamido-1-phenyl-1H-pyrazol-5-yl acetate. Following Lipinski's Rule of Five, 3-Acetamido-1-phenyl-1H-pyrazol-5-yl acetate has 1 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 3-Acetamido-1-phenyl-1H-pyrazol-5-yl acetate?
The CAS number of 3-Acetamido-1-phenyl-1H-pyrazol-5-yl acetate is 52472-96-5.
What is the molecular formula of 3-Acetamido-1-phenyl-1H-pyrazol-5-yl acetate?
The molecular formula of 3-Acetamido-1-phenyl-1H-pyrazol-5-yl acetate is C13H13N3O3.
What is the molecular weight of 3-Acetamido-1-phenyl-1H-pyrazol-5-yl acetate?
The molecular weight of 3-Acetamido-1-phenyl-1H-pyrazol-5-yl acetate is 259.10 g/mol.
Where can I buy 3-Acetamido-1-phenyl-1H-pyrazol-5-yl acetate?
You can request a quote for 3-Acetamido-1-phenyl-1H-pyrazol-5-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetamido-1-phenyl-1H-pyrazol-5-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetamido-1-phenyl-1H-pyrazol-5-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.