Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate
TL;DR: Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate (CAS 15001-38-4) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-1-(4-methylphenyl)pyrazole-4-carboxylate
Also Known As: ETHYL 5-AMINO-1-(4-METHYLPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE, mercury,triethyltin, Ethyl 5-amino-1-(p-tolyl)-1H-pyrazole-4-carboxylate, Pyrimidine,2-bromo-5-methyl, ethyl 5-amino-1-(4-methylphenyl)pyrazole-4-carboxylate
| Molecular Formula | C13H15N3O2 |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.11642 |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 15001-38-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C)N |
| InChIKey | HYLAFESEWXPMFD-UHFFFAOYSA-N |
Product Overview
Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate (CAS 15001-38-4), with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol. IUPAC: ethyl 5-amino-1-(4-methylphenyl)pyrazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate
Property Insights of Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-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 Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate?
The CAS number of Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate is 15001-38-4.
What is the molecular formula of Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate?
The molecular formula of Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate is C13H15N3O2.
What is the molecular weight of Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate?
The molecular weight of Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate is 245.12 g/mol.
Where can I buy Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate?
You can request a quote for Ethyl 5-amino-1-(4-methylphenyl)-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 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.