ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate
TL;DR: ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate (CAS 70291-73-5) is a chemical compound with molecular formula C15H19N3O2 and molecular weight 273.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate
Also Known As: ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate, ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carbo
| Molecular Formula | C15H19N3O2 |
|---|---|
| Molecular Weight | 273.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.14774 |
| Heavy Atoms | 20 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 70291-73-5 |
|---|---|
| SMILES | CCOC(=O)C1=NNC(=C1CC(C2=CC=CC=C2)N)C |
| InChIKey | YYMJRCDFZQRMSL-UHFFFAOYSA-N |
Product Overview
ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate (CAS 70291-73-5), with molecular formula C15H19N3O2 and molecular weight 273.15 g/mol. IUPAC: ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate.
Chemical Property Profile of ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate
Property Insights of ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate has 2 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 ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate?
The CAS number of ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate is 70291-73-5.
What is the molecular formula of ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate?
The molecular formula of ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate is C15H19N3O2.
What is the molecular weight of ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate?
The molecular weight of ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate is 273.15 g/mol.
Where can I buy ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate?
You can request a quote for ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-amino-2-phenylethyl)-5-methyl-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.