N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide
TL;DR: N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide (CAS 514816-72-9) is a chemical compound with molecular formula C12H12BrN3O and molecular weight 293.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4-methylphenyl)-1-methylpyrazole-3-carboxamide
Also Known As: N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide, N-(2-bromo-4-methylphenyl)-1-methylpyrazole-3-carboxamide, N-(2-bromo-4-methylphenyl)-1-methyl-3-pyrazolecarboxamide, N-(2-bromo-4-methyl-phenyl)-1-methyl-pyrazole-3-carboxamide, N-(2-bromanyl-4-methyl-phenyl)-1-methyl-pyrazole-3-carboxamide
| Molecular Formula | C12H12BrN3O |
|---|---|
| Molecular Weight | 293.02 g/mol |
| LogP | 2.74332 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.01636 |
| Heavy Atoms | 17 |
| Complexity | 562.6284 |
Chemical Identifiers
| CAS Number | 514816-72-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)C2=NN(C=C2)C)Br |
Product Overview
N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide (CAS 514816-72-9), with molecular formula C12H12BrN3O and molecular weight 293.02 g/mol. IUPAC: N-(2-bromo-4-methylphenyl)-1-methylpyrazole-3-carboxamide.
Chemical Property Profile of N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide
Property Insights of N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide
The XLogP value of 2.74332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide. With a topological polar surface area (TPSA) of 46.92 Ų, N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-bromo-4-methylphenyl)-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-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide?
The CAS number of N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide is 514816-72-9.
What is the molecular formula of N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide?
The molecular formula of N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide is C12H12BrN3O.
What is the molecular weight of N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide?
The molecular weight of N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide is 293.02 g/mol.
Where can I buy N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide?
You can request a quote for N-(2-bromo-4-methylphenyl)-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-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.