4-bromo-N-(5-fluoro-2-methylphenyl)-1-methylpyrazole-3-carboxamide
TL;DR: 4-bromo-N-(5-fluoro-2-methylphenyl)-1-methylpyrazole-3-carboxamide (CAS 515847-68-4) is a chemical compound with molecular formula C12H11BrFN3O and molecular weight 311.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-(5-fluoro-2-methylphenyl)-1-methylpyrazole-3-carboxamide
Also Known As: 4-bromo-N-(5-fluoro-2-methylphenyl)-1-methylpyrazole-3-carboxamide, 4-bromo-N-(5-fluoro-2-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide, 4-bromo-N-(5-fluoro-2-methyl-phenyl)-1-methyl-pyrazole-3-carboxamide
| Molecular Formula | C12H11BrFN3O |
|---|---|
| Molecular Weight | 311.01 g/mol |
| LogP | 2.88242 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.00696 |
| Heavy Atoms | 18 |
| Complexity | 609.3652 |
Chemical Identifiers
| CAS Number | 515847-68-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)F)NC(=O)C2=NN(C=C2Br)C |
Product Overview
4-bromo-N-(5-fluoro-2-methylphenyl)-1-methylpyrazole-3-carboxamide (CAS 515847-68-4), with molecular formula C12H11BrFN3O and molecular weight 311.01 g/mol. IUPAC: 4-bromo-N-(5-fluoro-2-methylphenyl)-1-methylpyrazole-3-carboxamide.
Chemical Property Profile of 4-bromo-N-(5-fluoro-2-methylphenyl)-1-methylpyrazole-3-carboxamide
Property Insights of 4-bromo-N-(5-fluoro-2-methylphenyl)-1-methylpyrazole-3-carboxamide
The XLogP value of 2.88242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-N-(5-fluoro-2-methylphenyl)-1-methylpyrazole-3-carboxamide. With a topological polar surface area (TPSA) of 46.92 Ų, 4-bromo-N-(5-fluoro-2-methylphenyl)-1-methylpyrazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-(5-fluoro-2-methylphenyl)-1-methylpyrazole-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 4-bromo-N-(5-fluoro-2-methylphenyl)-1-methylpyrazole-3-carboxamide?
The CAS number of 4-bromo-N-(5-fluoro-2-methylphenyl)-1-methylpyrazole-3-carboxamide is 515847-68-4.
What is the molecular formula of 4-bromo-N-(5-fluoro-2-methylphenyl)-1-methylpyrazole-3-carboxamide?
The molecular formula of 4-bromo-N-(5-fluoro-2-methylphenyl)-1-methylpyrazole-3-carboxamide is C12H11BrFN3O.
What is the molecular weight of 4-bromo-N-(5-fluoro-2-methylphenyl)-1-methylpyrazole-3-carboxamide?
The molecular weight of 4-bromo-N-(5-fluoro-2-methylphenyl)-1-methylpyrazole-3-carboxamide is 311.01 g/mol.
Where can I buy 4-bromo-N-(5-fluoro-2-methylphenyl)-1-methylpyrazole-3-carboxamide?
You can request a quote for 4-bromo-N-(5-fluoro-2-methylphenyl)-1-methylpyrazole-3-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-(5-fluoro-2-methylphenyl)-1-methylpyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(5-fluoro-2-methylphenyl)-1-methylpyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.