ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
TL;DR: ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate (CAS 113808-82-5) is a chemical compound with molecular formula C14H15BrN2O2 and molecular weight 322.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxylate
Also Known As: ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate, Ethyl 1-(4-bromophenyl)-3,5-dimethyl-pyrazole-4-carboxylate, ethyl 1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxylate, ethyl1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate, 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester
| Molecular Formula | C14H15BrN2O2 |
|---|---|
| Molecular Weight | 322.03 g/mol |
| LogP | 3.42834 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.03168 |
| Heavy Atoms | 19 |
| Complexity | 602.6537 |
Chemical Identifiers
| CAS Number | 113808-82-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)Br)C |
Product Overview
ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate (CAS 113808-82-5), with molecular formula C14H15BrN2O2 and molecular weight 322.03 g/mol. IUPAC: ethyl 1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxylate.
Chemical Property Profile of ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
Property Insights of ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
The XLogP value of 3.42834 indicates that ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate has 0 hydrogen bond donor(s) and 3 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 ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate is 113808-82-5.
What is the molecular formula of ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate is C14H15BrN2O2.
What is the molecular weight of ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate is 322.03 g/mol.
Where can I buy ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.