1-(4-methylphenyl)-2-(1H-pyrazol-1-yl)-1-ethanone
TL;DR: 1-(4-methylphenyl)-2-(1H-pyrazol-1-yl)-1-ethanone (CAS 321385-53-9) 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-(4-methylphenyl)-2-pyrazol-1-ylethanone
Also Known As: Bionet2_000531, 1-(4-methylphenyl)-2-(1H-pyrazol-1-yl)ethan-1-one, 1-(4-methylphenyl)-2-(1H-pyrazol-1-yl)-1-ethanone, 1-(4-methylphenyl)-2-pyrazol-1-ylethanone, 1-(p-tolyl)-2-pyrazol-1-yl-ethanone
| Molecular Formula | C12H12N2O |
|---|---|
| Molecular Weight | 200.09 g/mol |
| LogP | 2.07442 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.09496 |
| Heavy Atoms | 15 |
| Complexity | 442.98416 |
Chemical Identifiers
| CAS Number | 321385-53-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CN2C=CC=N2 |
Product Overview
1-(4-methylphenyl)-2-(1H-pyrazol-1-yl)-1-ethanone (CAS 321385-53-9), with molecular formula C12H12N2O and molecular weight 200.09 g/mol. IUPAC: 1-(4-methylphenyl)-2-pyrazol-1-ylethanone.
Chemical Property Profile of 1-(4-methylphenyl)-2-(1H-pyrazol-1-yl)-1-ethanone
Property Insights of 1-(4-methylphenyl)-2-(1H-pyrazol-1-yl)-1-ethanone
The XLogP value of 2.07442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-methylphenyl)-2-(1H-pyrazol-1-yl)-1-ethanone. With a topological polar surface area (TPSA) of 34.89 Ų, 1-(4-methylphenyl)-2-(1H-pyrazol-1-yl)-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-methylphenyl)-2-(1H-pyrazol-1-yl)-1-ethanone 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-(4-methylphenyl)-2-(1H-pyrazol-1-yl)-1-ethanone?
The CAS number of 1-(4-methylphenyl)-2-(1H-pyrazol-1-yl)-1-ethanone is 321385-53-9.
What is the molecular formula of 1-(4-methylphenyl)-2-(1H-pyrazol-1-yl)-1-ethanone?
The molecular formula of 1-(4-methylphenyl)-2-(1H-pyrazol-1-yl)-1-ethanone is C12H12N2O.
What is the molecular weight of 1-(4-methylphenyl)-2-(1H-pyrazol-1-yl)-1-ethanone?
The molecular weight of 1-(4-methylphenyl)-2-(1H-pyrazol-1-yl)-1-ethanone is 200.09 g/mol.
Where can I buy 1-(4-methylphenyl)-2-(1H-pyrazol-1-yl)-1-ethanone?
You can request a quote for 1-(4-methylphenyl)-2-(1H-pyrazol-1-yl)-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-methylphenyl)-2-(1H-pyrazol-1-yl)-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methylphenyl)-2-(1H-pyrazol-1-yl)-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.