1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone
TL;DR: 1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone (CAS 37703-59-6) 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.
4-acetyl-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: 1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone, 4-acetyl-5-methyl-2-phenyl-1H-pyrazol-3-one, 1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one, 1-phenyl-3-methyl-4-acetyl-5-pyrazolone, 1-phenyl-3-methyl-4-acetylpyrazol-5-one
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 37703-59-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C |
| InChIKey | QBZXQDLRICAIMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone (CAS 37703-59-6), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 4-acetyl-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone
Property Insights of 1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone. With a topological polar surface area (TPSA) of 49.4 Ų, 1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone 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 1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone?
The CAS number of 1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone is 37703-59-6.
What is the molecular formula of 1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone?
The molecular formula of 1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone is C12H12N2O2.
What is the molecular weight of 1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone?
The molecular weight of 1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone is 216.09 g/mol.
Where can I buy 1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone?
You can request a quote for 1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.