N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamide (CAS 1005592-32-4) is a chemical compound with molecular formula C17H20BrN3O3 and molecular weight 393.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamide, N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide, N-(benzo[1,3]dioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanamide
| Molecular Formula | C17H20BrN3O3 |
|---|---|
| Molecular Weight | 393.07 g/mol |
| LogP | 2.94364 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.0688 |
| Heavy Atoms | 24 |
| Complexity | 772.6815 |
Chemical Identifiers
| CAS Number | 1005592-32-4 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)C)Br |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamide (CAS 1005592-32-4), with molecular formula C17H20BrN3O3 and molecular weight 393.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropanamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamide
The XLogP value of 2.94364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamide. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamide 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-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamide is 1005592-32-4.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamide is C17H20BrN3O3.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamide is 393.07 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.