1-Acetyl-3-methyl-5-phenylpyrazole
TL;DR: 1-Acetyl-3-methyl-5-phenylpyrazole (CAS 155688-78-1) is a chemical compound with molecular formula C12H12N2O and molecular weight 200.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-methyl-5-phenylpyrazol-1-yl)ethanone
Also Known As: TimTec1_004134, 1-acetyl-3-methyl-5-phenylpyrazole, 1-Acetyl-3-methyl-5-phenyl-1H-pyrazole, BAS 00162517, 1-(3-methyl-5-phenylpyrazol-1-yl)ethanone
Technical Specifications
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.09496 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.09496 Da |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
| SMILES | CC1=NN(C(=C1)C2=CC=CC=C2)C(=O)C |
| InChIKey | YMGYDFXWAWWFFU-UHFFFAOYSA-N |
Chemical Property Profile of 1-Acetyl-3-methyl-5-phenylpyrazole
Property Insights of 1-Acetyl-3-methyl-5-phenylpyrazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-3-methyl-5-phenylpyrazole. With a topological polar surface area (TPSA) of 34.9 Ų, 1-Acetyl-3-methyl-5-phenylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-3-methyl-5-phenylpyrazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Acetyl-3-methyl-5-phenylpyrazole?
The CAS number of 1-Acetyl-3-methyl-5-phenylpyrazole is 155688-78-1.
What is the molecular formula of 1-Acetyl-3-methyl-5-phenylpyrazole?
The molecular formula of 1-Acetyl-3-methyl-5-phenylpyrazole is C12H12N2O.
What is the molecular weight of 1-Acetyl-3-methyl-5-phenylpyrazole?
The molecular weight of 1-Acetyl-3-methyl-5-phenylpyrazole is 200.09496 g/mol.
Where can I buy 1-Acetyl-3-methyl-5-phenylpyrazole?
You can request a quote for 1-Acetyl-3-methyl-5-phenylpyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Acetyl-3-methyl-5-phenylpyrazole?
Yes, CoreyChem provides custom synthesis services for 1-Acetyl-3-methyl-5-phenylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.