![1-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one structure](/static/products/1002/10021-79-1.webp)
1-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one
TL;DR: 1-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one (CAS 10021-79-1) is a chemical compound with molecular formula C12H11ClN2O and molecular weight 234.05598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanone
Also Known As: 1-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one, 1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanone, 1-(3-chlorophenyl)-4-acetyl-5-methylpyrazole, 1-[1-(3-Chloro-phenyl)-5-methyl-1H-pyrazol-4-yl]-ethanone, G24240
Technical Specifications
| Molecular Formula | C12H11ClN2O |
| Molecular Weight | 234.05598 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.05598 Da |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
| SMILES | CC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)C |
| InChIKey | IYNWUJLSPCIJNG-UHFFFAOYSA-N |
Chemical Property Profile of 1-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one
Property Insights of 1-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one. With a topological polar surface area (TPSA) of 34.9 Ų, 1-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one 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-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one?
The CAS number of 1-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one is 10021-79-1.
What is the molecular formula of 1-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one?
The molecular formula of 1-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one is C12H11ClN2O.
What is the molecular weight of 1-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one?
The molecular weight of 1-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one is 234.05598 g/mol.
Where can I buy 1-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one?
You can request a quote for 1-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.