3-Amino-1-methyl-5-methylsulfanyl-1H-pyrazole-4-carbonitrile
TL;DR: 3-Amino-1-methyl-5-methylsulfanyl-1H-pyrazole-4-carbonitrile (CAS 151291-05-3) is a chemical compound with molecular formula C6H8N4S and molecular weight 168.04697 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-1-methyl-5-methylsulfanylpyrazole-4-carbonitrile
Also Known As: 3-amino-1-methyl-5-(methylthio)-1H-pyrazole-4-carbonitrile, Maybridge3_003516, 1-Methyl-3-amino-4-cyano-5-methylsulfanylpyrazole, 3-amino-1-methyl-5-methylsulfanylpyrazole-4-carbonitrile, IDI1_014903
Technical Specifications
| Molecular Formula | C6H8N4S |
| Molecular Weight | 168.04697 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 92.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.04697 Da |
| Heavy Atoms | 11 |
| Complexity | 186.0 |
| SMILES | CN1C(=C(C(=N1)N)C#N)SC |
| InChIKey | BIQAGSSFDBPDNT-UHFFFAOYSA-N |
Chemical Property Profile of 3-Amino-1-methyl-5-methylsulfanyl-1H-pyrazole-4-carbonitrile
Property Insights of 3-Amino-1-methyl-5-methylsulfanyl-1H-pyrazole-4-carbonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1-methyl-5-methylsulfanyl-1H-pyrazole-4-carbonitrile. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-1-methyl-5-methylsulfanyl-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 3-Amino-1-methyl-5-methylsulfanyl-1H-pyrazole-4-carbonitrile 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
What is the CAS number of 3-Amino-1-methyl-5-methylsulfanyl-1H-pyrazole-4-carbonitrile?
The CAS number of 3-Amino-1-methyl-5-methylsulfanyl-1H-pyrazole-4-carbonitrile is 151291-05-3.
What is the molecular formula of 3-Amino-1-methyl-5-methylsulfanyl-1H-pyrazole-4-carbonitrile?
The molecular formula of 3-Amino-1-methyl-5-methylsulfanyl-1H-pyrazole-4-carbonitrile is C6H8N4S.
What is the molecular weight of 3-Amino-1-methyl-5-methylsulfanyl-1H-pyrazole-4-carbonitrile?
The molecular weight of 3-Amino-1-methyl-5-methylsulfanyl-1H-pyrazole-4-carbonitrile is 168.04697 g/mol.
Where can I buy 3-Amino-1-methyl-5-methylsulfanyl-1H-pyrazole-4-carbonitrile?
You can request a quote for 3-Amino-1-methyl-5-methylsulfanyl-1H-pyrazole-4-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-1-methyl-5-methylsulfanyl-1H-pyrazole-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 3-Amino-1-methyl-5-methylsulfanyl-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.