1H-Pyrazole-5-carboxylic acid, 4-amino-3-cyano-1-phenyl-, ethyl ester
TL;DR: 1H-Pyrazole-5-carboxylic acid, 4-amino-3-cyano-1-phenyl-, ethyl ester (CAS 58838-10-1) is a chemical compound with molecular formula C13H12N4O2 and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-3-cyano-1-phenylpyrazole-5-carboxylate
Also Known As: ethyl 4-amino-5-cyano-2-phenylpyrazole-3-carboxylate, ethyl 4-amino-3-cyano-1-phenyl-1H-pyrazole-5-carboxylate, 1H-Pyrazole-5-carboxylic acid, 4-amino-3-cyano-1-phenyl-, ethyl ester
| Molecular Formula | C13H12N4O2 |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 1.50288 |
| Topological Polar Surface Area | 93.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.09604 |
| Heavy Atoms | 19 |
| Complexity | 640.6531 |
Chemical Identifiers
| CAS Number | 58838-10-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NN1C2=CC=CC=C2)C#N)N |
Product Overview
1H-Pyrazole-5-carboxylic acid, 4-amino-3-cyano-1-phenyl-, ethyl ester (CAS 58838-10-1), with molecular formula C13H12N4O2 and molecular weight 256.10 g/mol. IUPAC: ethyl 4-amino-3-cyano-1-phenylpyrazole-5-carboxylate.
Chemical Property Profile of 1H-Pyrazole-5-carboxylic acid, 4-amino-3-cyano-1-phenyl-, ethyl ester
Property Insights of 1H-Pyrazole-5-carboxylic acid, 4-amino-3-cyano-1-phenyl-, ethyl ester
The XLogP value of 1.50288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-5-carboxylic acid, 4-amino-3-cyano-1-phenyl-, ethyl ester. The TPSA of 93.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-5-carboxylic acid, 4-amino-3-cyano-1-phenyl-, ethyl ester. Following Lipinski's Rule of Five, 1H-Pyrazole-5-carboxylic acid, 4-amino-3-cyano-1-phenyl-, ethyl ester has 1 hydrogen bond donor(s) and 5 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 1H-Pyrazole-5-carboxylic acid, 4-amino-3-cyano-1-phenyl-, ethyl ester?
The CAS number of 1H-Pyrazole-5-carboxylic acid, 4-amino-3-cyano-1-phenyl-, ethyl ester is 58838-10-1.
What is the molecular formula of 1H-Pyrazole-5-carboxylic acid, 4-amino-3-cyano-1-phenyl-, ethyl ester?
The molecular formula of 1H-Pyrazole-5-carboxylic acid, 4-amino-3-cyano-1-phenyl-, ethyl ester is C13H12N4O2.
What is the molecular weight of 1H-Pyrazole-5-carboxylic acid, 4-amino-3-cyano-1-phenyl-, ethyl ester?
The molecular weight of 1H-Pyrazole-5-carboxylic acid, 4-amino-3-cyano-1-phenyl-, ethyl ester is 256.10 g/mol.
Where can I buy 1H-Pyrazole-5-carboxylic acid, 4-amino-3-cyano-1-phenyl-, ethyl ester?
You can request a quote for 1H-Pyrazole-5-carboxylic acid, 4-amino-3-cyano-1-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 1H-Pyrazole-5-carboxylic acid, 4-amino-3-cyano-1-phenyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-5-carboxylic acid, 4-amino-3-cyano-1-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.