methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate
TL;DR: methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate (CAS 1150163-77-1) is a chemical compound with molecular formula C11H9BrN2O2 and molecular weight 279.98474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate
Also Known As: methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate, 4-Hydrazino-7-methylquinoline, methyl 5-(4-bromophenyl)-1H-pyrazole-3-carboxylate, methyl 5-(4-bromophenyl)-2H-pyrazole-3-carboxylate, methyl3-(4-bromophenyl)-1H-pyrazole-5-carboxylate
Technical Specifications
| Molecular Formula | C11H9BrN2O2 |
| Molecular Weight | 279.98474 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.98474 Da |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
| SMILES | COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br |
| InChIKey | IRKMOAWZRZMSCU-UHFFFAOYSA-N |
Chemical Property Profile of methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate
Property Insights of methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate. With a topological polar surface area (TPSA) of 55.0 Ų, methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate?
The CAS number of methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate is 1150163-77-1.
What is the molecular formula of methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate?
The molecular formula of methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate is C11H9BrN2O2.
What is the molecular weight of methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate?
The molecular weight of methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate is 279.98474 g/mol.
Where can I buy methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate?
You can request a quote for methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.