![N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide structure](/static/products/1005/1005643-84-4.webp)
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
TL;DR: N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide (CAS 1005643-84-4) is a chemical compound with molecular formula C21H18F3N3O3 and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
Also Known As: N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide, N-{3,5-dimethyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazol-4-yl}-1,3-benzodioxole-5-carboxamide, N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzo[1,3]dioxole-5-carboxamide
| Molecular Formula | C21H18F3N3O3 |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 4.54804 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.13004 |
| Heavy Atoms | 30 |
| Complexity | 1122.4149 |
Chemical Identifiers
| CAS Number | 1005643-84-4 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC(=CC=C2)C(F)(F)F)C)NC(=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide (CAS 1005643-84-4), with molecular formula C21H18F3N3O3 and molecular weight 417.13 g/mol. IUPAC: N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
Property Insights of N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
The XLogP value of 4.54804 indicates that N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide has 1 hydrogen bond donor(s) and 4 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-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide?
The CAS number of N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide is 1005643-84-4.
What is the molecular formula of N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide is C21H18F3N3O3.
What is the molecular weight of N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide is 417.13 g/mol.
Where can I buy N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.