5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile
TL;DR: 5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile (CAS 158000-71-6) is a chemical compound with molecular formula C11H16N4 and molecular weight 204.1375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-1-cyclohexyl-3-methylpyrazole-4-carbonitrile
Also Known As: 5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile, BIM-0033198.P001, 1-cyclohexyl-3-methyl-4-cyano-5-amino-1H-pyrazole, 5-amino-1-cyclohexyl-3-methylpyrazole-4-carbonitrile
Technical Specifications
| Molecular Formula | C11H16N4 |
| Molecular Weight | 204.1375 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 67.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.1375 Da |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
| SMILES | CC1=NN(C(=C1C#N)N)C2CCCCC2 |
| InChIKey | PQBHAEIHNCHJKG-UHFFFAOYSA-N |
Chemical Property Profile of 5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile
Property Insights of 5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile has 1 hydrogen bond donor(s) and 3 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-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile?
The CAS number of 5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile is 158000-71-6.
What is the molecular formula of 5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile is C11H16N4.
What is the molecular weight of 5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile is 204.1375 g/mol.
Where can I buy 5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.