3-Amino-4-cyano-5-cyanomethylpyrazole
TL;DR: 3-Amino-4-cyano-5-cyanomethylpyrazole (CAS 54711-21-6) is a chemical compound with molecular formula C6H5N5 and molecular weight 147.05449 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-5-(cyanomethyl)-1H-pyrazole-4-carbonitrile
Also Known As: 5-Amino-4-cyano-3-cyanomethylpyrazole, 5-Amino-4-cyano-3-(cyanomethyl)pyrazole, null, 3-amino-5-(cyanomethyl)-1H-pyrazole-4-carbonitrile, 1H-Pyrazole-3-acetonitrile, 5-amino-4-cyano-
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5N5 |
| Molecular Weight | 147.05449 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.05449 Da |
| Heavy Atoms | 11 |
| Complexity | 230.0 |
| SMILES | C(C#N)C1=C(C(=NN1)N)C#N |
| InChIKey | GSXISOIYTHIBLC-UHFFFAOYSA-N |
Chemical Property Profile of 3-Amino-4-cyano-5-cyanomethylpyrazole
Property Insights of 3-Amino-4-cyano-5-cyanomethylpyrazole
The XLogP value of -0.2 indicates that 3-Amino-4-cyano-5-cyanomethylpyrazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4-cyano-5-cyanomethylpyrazole. Following Lipinski's Rule of Five, 3-Amino-4-cyano-5-cyanomethylpyrazole 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
What is the CAS number of 3-Amino-4-cyano-5-cyanomethylpyrazole?
The CAS number of 3-Amino-4-cyano-5-cyanomethylpyrazole is 54711-21-6.
What is the molecular formula of 3-Amino-4-cyano-5-cyanomethylpyrazole?
The molecular formula of 3-Amino-4-cyano-5-cyanomethylpyrazole is C6H5N5.
What is the molecular weight of 3-Amino-4-cyano-5-cyanomethylpyrazole?
The molecular weight of 3-Amino-4-cyano-5-cyanomethylpyrazole is 147.05449 g/mol.
Where can I buy 3-Amino-4-cyano-5-cyanomethylpyrazole?
You can request a quote for 3-Amino-4-cyano-5-cyanomethylpyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-4-cyano-5-cyanomethylpyrazole?
Yes, CoreyChem provides custom synthesis services for 3-Amino-4-cyano-5-cyanomethylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.