N-(3-bromophenyl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
TL;DR: N-(3-bromophenyl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide (CAS 489406-61-3) is a chemical compound with molecular formula C11H9BrIN3O and molecular weight 404.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-bromophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
Also Known As: N-(3-bromophenyl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide, N-(3-bromophenyl)-4-iodo-1-methylpyrazole-3-carboxamide, N-(3-bromophenyl)(4-iodo-1-methylpyrazol-3-yl)carboxamide
| Molecular Formula | C11H9BrIN3O |
|---|---|
| Molecular Weight | 404.90 g/mol |
| LogP | 3.0395 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.89737 |
| Heavy Atoms | 17 |
| Complexity | 567.59424 |
Chemical Identifiers
| CAS Number | 489406-61-3 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(=O)NC2=CC(=CC=C2)Br)I |
Product Overview
N-(3-bromophenyl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide (CAS 489406-61-3), with molecular formula C11H9BrIN3O and molecular weight 404.90 g/mol. IUPAC: N-(3-bromophenyl)-4-iodo-1-methylpyrazole-3-carboxamide.
Chemical Property Profile of N-(3-bromophenyl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
Property Insights of N-(3-bromophenyl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
The XLogP value of 3.0395 indicates that N-(3-bromophenyl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, N-(3-bromophenyl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-bromophenyl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide 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 N-(3-bromophenyl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide?
The CAS number of N-(3-bromophenyl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide is 489406-61-3.
What is the molecular formula of N-(3-bromophenyl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide?
The molecular formula of N-(3-bromophenyl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide is C11H9BrIN3O.
What is the molecular weight of N-(3-bromophenyl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide?
The molecular weight of N-(3-bromophenyl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide is 404.90 g/mol.
Where can I buy N-(3-bromophenyl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide?
You can request a quote for N-(3-bromophenyl)-4-iodo-1-methyl-1H-pyrazole-3-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-bromophenyl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-bromophenyl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.