4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-3-carboxamide
TL;DR: 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-3-carboxamide (CAS 1005597-35-2) is a chemical compound with molecular formula C11H18BrN3O and molecular weight 287.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-3-carboxamide
Also Known As: 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-3-carboxamide, 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methyl-1H-pyrazole-3-carboxamide, 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methyl-pyrazole-3-carboxamide, 4-BROMO-1-METHYL-N-(1,2,2-TRIMETHYLPROPYL)-1H-PYRAZOLE-3-CARBOXAMIDE
Technical Specifications
| Molecular Formula | C11H18BrN3O |
| Molecular Weight | 287.06332 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 46.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.06332 Da |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
| SMILES | CC(C(C)(C)C)NC(=O)C1=NN(C=C1Br)C |
| InChIKey | AFWSFHOHZHHDFX-UHFFFAOYSA-N |
Chemical Property Profile of 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-3-carboxamide
Property Insights of 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-3-carboxamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-3-carboxamide. With a topological polar surface area (TPSA) of 46.9 Ų, 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-(3,3-dimethylbutan-2-yl)-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
What is the CAS number of 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-3-carboxamide?
The CAS number of 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-3-carboxamide is 1005597-35-2.
What is the molecular formula of 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-3-carboxamide?
The molecular formula of 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-3-carboxamide is C11H18BrN3O.
What is the molecular weight of 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-3-carboxamide?
The molecular weight of 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-3-carboxamide is 287.06332 g/mol.
Where can I buy 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-3-carboxamide?
You can request a quote for 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-3-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-3-carboxamide?
Yes, CoreyChem provides custom synthesis services for 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.