Diethyl 3-cyanopyrazolo[1,5-a]pyrimidine-6,7-dicarboxylate

Base Information

• Chemical Name: Diethyl 3-cyanopyrazolo[1,5-a]pyrimidine-6,7-dicarboxylate
• CAS No.: 77936-73-3
• Molecular Formula: C13H12N4O4
• Molecular Weight: 288.25900
• DSSTox Substance ID: DTXSID90506703
• Wikidata: Q82362569

Synonyms:77936-73-3;Diethyl 3-cyanopyrazolo[1,5-a]pyrimidine-6,7-dicarboxylate;DTXSID90506703

Chemical Property of Diethyl 3-cyanopyrazolo[1,5-a]pyrimidine-6,7-dicarboxylate

Chemical Property:

• PSA: 106.58000
• LogP: 0.95438
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 288.08585488
• Heavy Atom Count: 21
• Complexity: 460

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MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N2C(=C(C=N2)C#N)N=C1)C(=O)OCC

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