N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide
TL;DR: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide (CAS 398997-06-3) is a chemical compound with molecular formula C21H23N3O2 and molecular weight 349.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide
Also Known As: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide, N-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))(2,4,6-trimethylphenyl)carbox amide
| Molecular Formula | C21H23N3O2 |
|---|---|
| Molecular Weight | 349.18 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.17902 |
| Heavy Atoms | 26 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 398997-06-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C |
| InChIKey | CXLAHBJYLTXLNC-UHFFFAOYSA-N |
Product Overview
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide (CAS 398997-06-3), with molecular formula C21H23N3O2 and molecular weight 349.18 g/mol. IUPAC: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide.
Chemical Property Profile of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide
Property Insights of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide. With a topological polar surface area (TPSA) of 52.7 Ų, N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide has 1 hydrogen bond donor(s) and 3 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 N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide?
The CAS number of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide is 398997-06-3.
What is the molecular formula of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide?
The molecular formula of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide is C21H23N3O2.
What is the molecular weight of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide?
The molecular weight of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide is 349.18 g/mol.
Where can I buy N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide?
You can request a quote for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4,6-trimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.