4-bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide
TL;DR: 4-bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide (CAS 489406-94-2) is a chemical compound with molecular formula C12H12BrN3O2 and molecular weight 309.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
Also Known As: 4-bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide, 4-bromo-N-(2-methoxyphenyl)-2-methylpyrazole-3-carboxamide
| Molecular Formula | C12H12BrN3O2 |
|---|---|
| Molecular Weight | 309.01 g/mol |
| LogP | 2.4435 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.0113 |
| Heavy Atoms | 18 |
| Complexity | 560.95154 |
Chemical Identifiers
| CAS Number | 489406-94-2 |
|---|---|
| SMILES | CN1C(=C(C=N1)Br)C(=O)NC2=CC=CC=C2OC |
Product Overview
4-bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide (CAS 489406-94-2), with molecular formula C12H12BrN3O2 and molecular weight 309.01 g/mol. IUPAC: 4-bromo-N-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide.
Chemical Property Profile of 4-bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide
Property Insights of 4-bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide
The XLogP value of 2.4435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide. With a topological polar surface area (TPSA) of 56.15 Ų, 4-bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide 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 4-bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide?
The CAS number of 4-bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide is 489406-94-2.
What is the molecular formula of 4-bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide?
The molecular formula of 4-bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide is C12H12BrN3O2.
What is the molecular weight of 4-bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide?
The molecular weight of 4-bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide is 309.01 g/mol.
Where can I buy 4-bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide?
You can request a quote for 4-bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.