N-(3-bromophenyl)-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide
TL;DR: N-(3-bromophenyl)-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide (CAS 515150-20-6) is a chemical compound with molecular formula C13H14BrN3O and molecular weight 307.032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-bromophenyl)-1-ethyl-3-methylpyrazole-4-carboxamide
Also Known As: N-(3-bromophenyl)-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide, N-(3-bromophenyl)-1-ethyl-3-methyl-pyrazole-4-carboxamide, N-(3-bromophenyl)-1-ethyl-3-methylpyrazole-4-carboxamide
Technical Specifications
| Molecular Formula | C13H14BrN3O |
| Molecular Weight | 307.032 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 46.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.032 Da |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
| SMILES | CCN1C=C(C(=N1)C)C(=O)NC2=CC(=CC=C2)Br |
| InChIKey | NWJLXXQMHQCAJG-UHFFFAOYSA-N |
Chemical Property Profile of N-(3-bromophenyl)-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide
Property Insights of N-(3-bromophenyl)-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-bromophenyl)-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide. With a topological polar surface area (TPSA) of 46.9 Ų, N-(3-bromophenyl)-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-bromophenyl)-1-ethyl-3-methyl-1H-pyrazole-4-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 N-(3-bromophenyl)-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide?
The CAS number of N-(3-bromophenyl)-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide is 515150-20-6.
What is the molecular formula of N-(3-bromophenyl)-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide?
The molecular formula of N-(3-bromophenyl)-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide is C13H14BrN3O.
What is the molecular weight of N-(3-bromophenyl)-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide?
The molecular weight of N-(3-bromophenyl)-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide is 307.032 g/mol.
Where can I buy N-(3-bromophenyl)-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide?
You can request a quote for N-(3-bromophenyl)-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3-bromophenyl)-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide?
Yes, CoreyChem provides custom synthesis services for N-(3-bromophenyl)-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.