methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
TL;DR: methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate (CAS 879454-35-0) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
Also Known As: methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate, UPCMLD0ENAT5756796:001, BAS 09896572, Methyl 5-(4-ethoxyphenyl)-1h-pyrazole-3-carboxylate, methyl 3-(4-ethoxyphenyl)pyrazole-5-carboxylate
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 2.262 |
| Topological Polar Surface Area | 64.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 531.4243 |
Chemical Identifiers
| CAS Number | 879454-35-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OC |
Product Overview
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate (CAS 879454-35-0), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate.
Chemical Property Profile of methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
Property Insights of methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
The XLogP value of 2.262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate. The TPSA of 64.21 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate. Following Lipinski's Rule of Five, methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate has 1 hydrogen bond donor(s) and 4 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 methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate?
The CAS number of methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate is 879454-35-0.
What is the molecular formula of methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate?
The molecular formula of methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate is C13H14N2O3.
What is the molecular weight of methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate?
The molecular weight of methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate is 246.10 g/mol.
Where can I buy methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate?
You can request a quote for methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.