1-methyl-3-phenyl-1H-pyrazol-5-yl acetate
TL;DR: 1-methyl-3-phenyl-1H-pyrazol-5-yl acetate (CAS 955964-64-4) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-3-phenylpyrazol-5-yl) acetate
Also Known As: Bionet2_001382, 1-methyl-3-phenyl-1H-pyrazol-5-yl acetate, (2-methyl-5-phenylpyrazol-3-yl) acetate, 6T-1489
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 2.0124 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 502.99225 |
Chemical Identifiers
| CAS Number | 955964-64-4 |
|---|---|
| SMILES | CC(=O)OC1=CC(=NN1C)C2=CC=CC=C2 |
Product Overview
1-methyl-3-phenyl-1H-pyrazol-5-yl acetate (CAS 955964-64-4), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: (1-methyl-3-phenylpyrazol-5-yl) acetate.
Chemical Property Profile of 1-methyl-3-phenyl-1H-pyrazol-5-yl acetate
Property Insights of 1-methyl-3-phenyl-1H-pyrazol-5-yl acetate
The XLogP value of 2.0124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-3-phenyl-1H-pyrazol-5-yl acetate. With a topological polar surface area (TPSA) of 44.12 Ų, 1-methyl-3-phenyl-1H-pyrazol-5-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-3-phenyl-1H-pyrazol-5-yl acetate has 0 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 1-methyl-3-phenyl-1H-pyrazol-5-yl acetate?
The CAS number of 1-methyl-3-phenyl-1H-pyrazol-5-yl acetate is 955964-64-4.
What is the molecular formula of 1-methyl-3-phenyl-1H-pyrazol-5-yl acetate?
The molecular formula of 1-methyl-3-phenyl-1H-pyrazol-5-yl acetate is C12H12N2O2.
What is the molecular weight of 1-methyl-3-phenyl-1H-pyrazol-5-yl acetate?
The molecular weight of 1-methyl-3-phenyl-1H-pyrazol-5-yl acetate is 216.09 g/mol.
Where can I buy 1-methyl-3-phenyl-1H-pyrazol-5-yl acetate?
You can request a quote for 1-methyl-3-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 1-methyl-3-phenyl-1H-pyrazol-5-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-3-phenyl-1H-pyrazol-5-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.