3-Pyrazolecarboxylic acid, 4-amino-5-phenyl-, ethyl ester
TL;DR: 3-Pyrazolecarboxylic acid, 4-amino-5-phenyl-, ethyl ester (CAS 70015-76-8) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-3-phenyl-1H-pyrazole-5-carboxylate
Also Known As: ethyl 4-amino-3-phenyl-1H-pyrazole-5-carboxylate, 4-Amino-5-phenyl-3-pyrazolecarboxylic acid ethyl ester, Ethyl 4-amino-5-phenylpyrazole-(1H)-3-carboxylate, 3-Pyrazolecarboxylic acid, 4-amino-5-phenyl-, ethyl ester, ethyl 4-amino-5-phenyl-1H-pyrazole-3-carboxylate
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 1.8356 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 519.80194 |
Chemical Identifiers
| CAS Number | 70015-76-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NN1)C2=CC=CC=C2)N |
Product Overview
3-Pyrazolecarboxylic acid, 4-amino-5-phenyl-, ethyl ester (CAS 70015-76-8), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: ethyl 4-amino-3-phenyl-1H-pyrazole-5-carboxylate.
Chemical Property Profile of 3-Pyrazolecarboxylic acid, 4-amino-5-phenyl-, ethyl ester
Property Insights of 3-Pyrazolecarboxylic acid, 4-amino-5-phenyl-, ethyl ester
The XLogP value of 1.8356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyrazolecarboxylic acid, 4-amino-5-phenyl-, ethyl ester. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyrazolecarboxylic acid, 4-amino-5-phenyl-, ethyl ester. Following Lipinski's Rule of Five, 3-Pyrazolecarboxylic acid, 4-amino-5-phenyl-, ethyl ester 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 3-Pyrazolecarboxylic acid, 4-amino-5-phenyl-, ethyl ester?
The CAS number of 3-Pyrazolecarboxylic acid, 4-amino-5-phenyl-, ethyl ester is 70015-76-8.
What is the molecular formula of 3-Pyrazolecarboxylic acid, 4-amino-5-phenyl-, ethyl ester?
The molecular formula of 3-Pyrazolecarboxylic acid, 4-amino-5-phenyl-, ethyl ester is C12H13N3O2.
What is the molecular weight of 3-Pyrazolecarboxylic acid, 4-amino-5-phenyl-, ethyl ester?
The molecular weight of 3-Pyrazolecarboxylic acid, 4-amino-5-phenyl-, ethyl ester is 231.10 g/mol.
Where can I buy 3-Pyrazolecarboxylic acid, 4-amino-5-phenyl-, ethyl ester?
You can request a quote for 3-Pyrazolecarboxylic acid, 4-amino-5-phenyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyrazolecarboxylic acid, 4-amino-5-phenyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyrazolecarboxylic acid, 4-amino-5-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.