5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylic acid
TL;DR: 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylic acid (CAS 1007513-71-4) is a chemical compound with molecular formula C7H8N4O2 and molecular weight 180.06473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-1-(2-cyanoethyl)pyrazole-4-carboxylic acid
Also Known As: 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylic acid, 5-amino-1-(2-cyanoethyl)pyrazole-4-carboxylic Acid
Technical Specifications
| Molecular Formula | C7H8N4O2 |
| Molecular Weight | 180.06473 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.06473 Da |
| Heavy Atoms | 13 |
| Complexity | 246.0 |
| SMILES | C1=NN(C(=C1C(=O)O)N)CCC#N |
| InChIKey | QMIHBRFADJTKLP-UHFFFAOYSA-N |
Chemical Property Profile of 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylic acid
Property Insights of 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylic acid
The XLogP value of -0.4 indicates that 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylic acid. Following Lipinski's Rule of Five, 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylic acid?
The CAS number of 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylic acid is 1007513-71-4.
What is the molecular formula of 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylic acid?
The molecular formula of 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylic acid is C7H8N4O2.
What is the molecular weight of 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylic acid?
The molecular weight of 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylic acid is 180.06473 g/mol.
Where can I buy 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylic acid?
You can request a quote for 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.