1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one
TL;DR: 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one (CAS 6123-63-3) is a chemical compound with molecular formula C12H12N2O and molecular weight 200.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methyl-1-phenylpyrazol-4-yl)ethanone
Also Known As: nickel,rhodium, 4-acetyl-5-methyl-1-phenylpyrazole, 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethanone, 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one, Maybridge1_003233
| Molecular Formula | C12H12N2O |
|---|---|
| Molecular Weight | 200.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.09496 |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 6123-63-3 |
|---|---|
| SMILES | CC1=C(C=NN1C2=CC=CC=C2)C(=O)C |
| InChIKey | FZEDJUVQMGBVRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one (CAS 6123-63-3), with molecular formula C12H12N2O and molecular weight 200.09 g/mol. IUPAC: 1-(5-methyl-1-phenylpyrazol-4-yl)ethanone.
Chemical Property Profile of 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one
Property Insights of 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one. With a topological polar surface area (TPSA) of 34.9 Ų, 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Methyl-1-phenyl-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
Frequently Asked Questions
What is the CAS number of 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one?
The CAS number of 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one is 6123-63-3.
What is the molecular formula of 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one?
The molecular formula of 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one is C12H12N2O.
What is the molecular weight of 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one?
The molecular weight of 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one is 200.09 g/mol.
Where can I buy 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one?
You can request a quote for 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.