Cas no 1105710-35-7 (6-(1H-Pyrazol-4-yl)isoquinoline)

6-(1H-Pyrazol-4-yl)isoquinoline structure
1105710-35-7 structure
Product Name:6-(1H-Pyrazol-4-yl)isoquinoline
CAS No:1105710-35-7
MF:C12H9N3
MW:195.219961881638
CID:2192999
Update Time:2023-08-07

6-(1H-Pyrazol-4-yl)isoquinoline Chemical and Physical Properties

Names and Identifiers

    • 6-(1H-pyrazol-4-yl)isoquinoline
    • UISAKNJPCXJPAC-UHFFFAOYSA-N
    • Isoquinoline, 6-(1H-pyrazol-4-yl)-
    • 6-(1H-Pyrazol-4-yl)isoquinoline
    • Inchi: 1S/C12H9N3/c1-2-11-6-13-4-3-10(11)5-9(1)12-7-14-15-8-12/h1-8H,(H,14,15)
    • InChI Key: UISAKNJPCXJPAC-UHFFFAOYSA-N
    • SMILES: N1C=C(C=N1)C1C=CC2C=NC=CC=2C=1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 219
  • Topological Polar Surface Area: 41.6
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