1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone
TL;DR: 1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone (CAS 1210-43-1) is a chemical compound with molecular formula C13H14N2O and molecular weight 214.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
Also Known As: 1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone, 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone, 1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one, 1-(3,5-Dimethyl-1-Phenyl-1H-4-Pyrazolyl)-1-Ethanone, CHEMBRDG-BB 4002408
| Molecular Formula | C13H14N2O |
|---|---|
| Molecular Weight | 214.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.11061 |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 1210-43-1 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C |
| InChIKey | BYBPRELHKWHPLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone (CAS 1210-43-1), with molecular formula C13H14N2O and molecular weight 214.11 g/mol. IUPAC: 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone.
Chemical Property Profile of 1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone
Property Insights of 1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone. With a topological polar surface area (TPSA) of 34.9 Ų, 1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)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-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone?
The CAS number of 1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone is 1210-43-1.
What is the molecular formula of 1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone?
The molecular formula of 1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone is C13H14N2O.
What is the molecular weight of 1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone?
The molecular weight of 1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone is 214.11 g/mol.
Where can I buy 1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone?
You can request a quote for 1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.