5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide
TL;DR: 5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide (CAS 98533-59-6) is a chemical compound with molecular formula C11H8BrF2N3O and molecular weight 314.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide
Also Known As: 5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide, 5-bromo-1-(2,4-difluorophenyl)-N-methyl-pyrazole-4-carboxamide, 5-Bromo-1-(2,4-difluorophenyl)-N-methyl-1H-pyrazole-4-carboximidic acid
| Molecular Formula | C11H8BrF2N3O |
|---|---|
| Molecular Weight | 314.98 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.98187 |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 98533-59-6 |
|---|---|
| SMILES | CNC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)F)F)Br |
| InChIKey | SVZYYXOHYRNCPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide (CAS 98533-59-6), with molecular formula C11H8BrF2N3O and molecular weight 314.98 g/mol. IUPAC: 5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide.
Chemical Property Profile of 5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide
Property Insights of 5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide. With a topological polar surface area (TPSA) of 46.9 Ų, 5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide 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 5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide?
The CAS number of 5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide is 98533-59-6.
What is the molecular formula of 5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide?
The molecular formula of 5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide is C11H8BrF2N3O.
What is the molecular weight of 5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide?
The molecular weight of 5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide is 314.98 g/mol.
Where can I buy 5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide?
You can request a quote for 5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-1-(2,4-difluorophenyl)-N-methylpyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.