![3-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide structure](/static/products/3576/357613-59-3.webp)
3-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide
TL;DR: 3-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide (CAS 357613-59-3) is a chemical compound with molecular formula C14H16BrN3O and molecular weight 321.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
Also Known As: 3-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide, 3-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide, 3-bromo-N-((1,3,5-trimethyl-1H-pyrazol-4-yl)methyl)benzamide
| Molecular Formula | C14H16BrN3O |
|---|---|
| Molecular Weight | 321.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.04767 |
| Heavy Atoms | 19 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 357613-59-3 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)CNC(=O)C2=CC(=CC=C2)Br |
| InChIKey | QHWUXZZWCYRPCO-UHFFFAOYSA-N |
Product Overview
3-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide (CAS 357613-59-3), with molecular formula C14H16BrN3O and molecular weight 321.05 g/mol. IUPAC: 3-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.
Chemical Property Profile of 3-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide
Property Insights of 3-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide. With a topological polar surface area (TPSA) of 46.9 Ų, 3-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide has 1 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 3-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide?
The CAS number of 3-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide is 357613-59-3.
What is the molecular formula of 3-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide?
The molecular formula of 3-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide is C14H16BrN3O.
What is the molecular weight of 3-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide?
The molecular weight of 3-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide is 321.05 g/mol.
Where can I buy 3-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide?
You can request a quote for 3-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.