3-(5-amino-3-methyl-1H-pyrazol-1-yl)-3-oxopropanenitrile
TL;DR: 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-3-oxopropanenitrile (CAS 153901-31-6) is a chemical compound with molecular formula C7H8N4O and molecular weight 164.06981 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-amino-3-methylpyrazol-1-yl)-3-oxopropanenitrile
Also Known As: AI-129/31496004, 2-(5-amino-3-methyl-1h-pyrazol-1-yl)acetyl cyanide, 3-(5-amino-3-methylpyrazol-1-yl)-3-oxopropanenitrile, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-3-oxopropanenitrile, 3-(5-amino-3-methyl-pyrazol-1-yl)-3-oxo-propanenitrile
Technical Specifications
| Molecular Formula | C7H8N4O |
| Molecular Weight | 164.06981 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.06981 Da |
| Heavy Atoms | 12 |
| Complexity | 231.0 |
| SMILES | CC1=NN(C(=C1)N)C(=O)CC#N |
| InChIKey | AIIFSZZHYQRSSW-UHFFFAOYSA-N |
Chemical Property Profile of 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-3-oxopropanenitrile
Property Insights of 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-3-oxopropanenitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-3-oxopropanenitrile. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-3-oxopropanenitrile. Following Lipinski's Rule of Five, 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-3-oxopropanenitrile 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-(5-amino-3-methyl-1H-pyrazol-1-yl)-3-oxopropanenitrile?
The CAS number of 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-3-oxopropanenitrile is 153901-31-6.
What is the molecular formula of 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-3-oxopropanenitrile?
The molecular formula of 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-3-oxopropanenitrile is C7H8N4O.
What is the molecular weight of 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-3-oxopropanenitrile?
The molecular weight of 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-3-oxopropanenitrile is 164.06981 g/mol.
Where can I buy 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-3-oxopropanenitrile?
You can request a quote for 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-3-oxopropanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-3-oxopropanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(5-amino-3-methyl-1H-pyrazol-1-yl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.