Cas no 165615-63-4 (1H-Pyrazole-5-carbonitrile, 4-methoxy-1-methyl-)

1H-Pyrazole-5-carbonitrile, 4-methoxy-1-methyl- structure
165615-63-4 structure
Product Name:1H-Pyrazole-5-carbonitrile, 4-methoxy-1-methyl-
CAS No:165615-63-4
MF:C6H7N3O
MW:137.139280557632
CID:6644967
PubChem ID:15184252
Update Time:2024-05-28

1H-Pyrazole-5-carbonitrile, 4-methoxy-1-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-5-carbonitrile, 4-methoxy-1-methyl-
    • 165615-63-4
    • Inchi: 1S/C6H7N3O/c1-9-5(3-7)6(10-2)4-8-9/h4H,1-2H3
    • InChI Key: TWJXEGUAGLYGEL-UHFFFAOYSA-N
    • SMILES: O(C)C1C=NN(C)C=1C#N

Computed Properties

  • Exact Mass: 137.058911855g/mol
  • Monoisotopic Mass: 137.058911855g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 162
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 50.8?2

1H-Pyrazole-5-carbonitrile, 4-methoxy-1-methyl- Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Methanol
Reference
Anodic cyanation of 1-methylpyrazole
Yoshida, Kunihisa; Toyo-oka, Yoshimasa; Takeda, Kazusada, Journal of Heterocyclic Chemistry, 1995, 32(2), 701-2

1H-Pyrazole-5-carbonitrile, 4-methoxy-1-methyl- Raw materials

1H-Pyrazole-5-carbonitrile, 4-methoxy-1-methyl- Preparation Products

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