4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one
TL;DR: 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one (CAS 4173-74-4) 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.
4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one
Also Known As: 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one, 4-Acetyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, 4-Acetyl-3-methyl-1-phenyl-5-pyrazolone, 4-Acetyl-3-methyl-1-phenyl-2-pyrazolin-5-one, 2-Pyrazolin-5-one, 4-acetyl-3-methyl-1-phenyl-
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 4173-74-4 |
|---|---|
| SMILES | CC1=NN(C(=O)C1C(=O)C)C2=CC=CC=C2 |
| InChIKey | LQEMQGRMLUUWAW-UHFFFAOYSA-N |
Product Overview
4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one (CAS 4173-74-4), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one.
Chemical Property Profile of 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one
Property Insights of 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one. With a topological polar surface area (TPSA) of 49.7 Ų, 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one 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 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one?
The CAS number of 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one is 4173-74-4.
What is the molecular formula of 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one?
The molecular formula of 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one is C12H12N2O2.
What is the molecular weight of 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one?
The molecular weight of 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one is 216.09 g/mol.
Where can I buy 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one?
You can request a quote for 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.