4-bromo-N-(2-tert-butylphenyl)-1-methylpyrazole-3-carboxamide
TL;DR: 4-bromo-N-(2-tert-butylphenyl)-1-methylpyrazole-3-carboxamide (CAS 515175-99-2) is a chemical compound with molecular formula C15H18BrN3O and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-(2-tert-butylphenyl)-1-methylpyrazole-3-carboxamide
Also Known As: 4-bromo-N-(2-tert-butylphenyl)-1-methylpyrazole-3-carboxamide, 4-bromo-1-methyl-N-(2-tert-butylphenyl)pyrazole-3-carboxamide, 4-BROMO-N-[2-(TERT-BUTYL)PHENYL]-1-METHYL-1H-PYRAZOLE-3-CARBOXAMIDE
| Molecular Formula | C15H18BrN3O |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 3.7324 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.06332 |
| Heavy Atoms | 20 |
| Complexity | 640.8085 |
Chemical Identifiers
| CAS Number | 515175-99-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1NC(=O)C2=NN(C=C2Br)C |
Product Overview
4-bromo-N-(2-tert-butylphenyl)-1-methylpyrazole-3-carboxamide (CAS 515175-99-2), with molecular formula C15H18BrN3O and molecular weight 335.06 g/mol. IUPAC: 4-bromo-N-(2-tert-butylphenyl)-1-methylpyrazole-3-carboxamide.
Chemical Property Profile of 4-bromo-N-(2-tert-butylphenyl)-1-methylpyrazole-3-carboxamide
Property Insights of 4-bromo-N-(2-tert-butylphenyl)-1-methylpyrazole-3-carboxamide
The XLogP value of 3.7324 indicates that 4-bromo-N-(2-tert-butylphenyl)-1-methylpyrazole-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, 4-bromo-N-(2-tert-butylphenyl)-1-methylpyrazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-(2-tert-butylphenyl)-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-(2-tert-butylphenyl)-1-methylpyrazole-3-carboxamide?
The CAS number of 4-bromo-N-(2-tert-butylphenyl)-1-methylpyrazole-3-carboxamide is 515175-99-2.
What is the molecular formula of 4-bromo-N-(2-tert-butylphenyl)-1-methylpyrazole-3-carboxamide?
The molecular formula of 4-bromo-N-(2-tert-butylphenyl)-1-methylpyrazole-3-carboxamide is C15H18BrN3O.
What is the molecular weight of 4-bromo-N-(2-tert-butylphenyl)-1-methylpyrazole-3-carboxamide?
The molecular weight of 4-bromo-N-(2-tert-butylphenyl)-1-methylpyrazole-3-carboxamide is 335.06 g/mol.
Where can I buy 4-bromo-N-(2-tert-butylphenyl)-1-methylpyrazole-3-carboxamide?
You can request a quote for 4-bromo-N-(2-tert-butylphenyl)-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-(2-tert-butylphenyl)-1-methylpyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(2-tert-butylphenyl)-1-methylpyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.