4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide
TL;DR: 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide (CAS 1005641-22-4) is a chemical compound with molecular formula C6H8BrN3O and molecular weight 216.98508 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-1,3-dimethylpyrazole-5-carboxamide
Also Known As: 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide, 4-bromo-2,5-dimethylpyrazole-3-carboxamide, 4-bromo-1,3-dimethylpyrazole-5-carboxamide, 4-bromo-2,5-dimethyl-pyrazole-3-carboxamide
Technical Specifications
| Molecular Formula | C6H8BrN3O |
| Molecular Weight | 216.98508 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.98508 Da |
| Heavy Atoms | 11 |
| Complexity | 175.0 |
| SMILES | CC1=NN(C(=C1Br)C(=O)N)C |
| InChIKey | PXBZPNUOEYENNK-UHFFFAOYSA-N |
Chemical Property Profile of 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide
Property Insights of 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, 4-bromo-1,3-dimethyl-1H-pyrazole-5-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-1,3-dimethyl-1H-pyrazole-5-carboxamide?
The CAS number of 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide is 1005641-22-4.
What is the molecular formula of 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide?
The molecular formula of 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide is C6H8BrN3O.
What is the molecular weight of 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide?
The molecular weight of 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide is 216.98508 g/mol.
Where can I buy 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide?
You can request a quote for 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide?
Yes, CoreyChem provides custom synthesis services for 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.