Cas no 581083-30-9 (6,6-Dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid)

6,6-Dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is a heterocyclic carboxylic acid derivative featuring a fused indazole core with a tetrahydro substitution pattern. The 6,6-dimethyl modification enhances steric stability, while the carboxylic acid moiety provides versatility for further functionalization, making it a valuable intermediate in medicinal chemistry and organic synthesis. Its rigid bicyclic structure is advantageous for designing bioactive compounds, particularly in the development of kinase inhibitors and other therapeutic agents. The compound's well-defined stereochemistry and synthetic accessibility contribute to its utility in high-precision applications, such as structure-activity relationship (SAR) studies and targeted drug discovery.
6,6-Dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid structure
581083-30-9 structure
Product Name:6,6-Dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CAS No:581083-30-9
MF:C10H14N2O2
MW:194.230362415314
MDL:MFCD16250075
CID:2101787
PubChem ID:58559149
Update Time:2025-06-07

6,6-Dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6,6-DIMETHYL-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLIC ACID
    • 6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxylic acid
    • 6,6-dimethyl-4,5,6,7-tetrahydro-2h-indazole-3-carboxylic acid
    • 3364AJ
    • J3.596.223I
    • 6,6-DIMETHYL-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARB
    • DB-014622
    • DB-395957
    • 581083-30-9
    • Z1255437043
    • 2H-Indazole-3-carboxylic acid, 4,5,6,7-tetrahydro-6,6-dimethyl-
    • MFCD16250075
    • CS-0100002
    • AKOS023611989
    • 1233243-57-6
    • SY260617
    • EN300-7424122
    • AS-43537
    • SCHEMBL3462904
    • SCHEMBL15565522
    • 4,5,6,7-Tetrahydro-6,6-dimethyl-2H-indazole-3-carboxylic acid
    • 2H-Indazole-3-carboxylicacid,4,5,6,7-tetrahydro-6,6-dimethyl-
    • GYA08330
    • 6,6-Dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
    • MDL： MFCD16250075
    • Inchi： 1S/C10H14N2O2/c1-10(2)4-3-6-7(5-10)11-12-8(6)9(13)14/h3-5H2,1-2H3,(H,11,12)(H,13,14)
    • InChI Key： OMXGCIRFKLMDNE-UHFFFAOYSA-N
    • SMILES： OC(C1C2=C(CC(C)(C)CC2)NN=1)=O

Computed Properties

  • Exact Mass: 194.105527694g/mol
  • Monoisotopic Mass: 194.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 253
  • 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
  • Topological Polar Surface Area: 66
  • XLogP3: 2.1

Experimental Properties

  • Density: 1.223±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 408.7±45.0 °C at 760 mmHg
  • Flash Point: 201.0±28.7 °C
  • Solubility: Very slightly soluble (0.15 g/l) (25 o C),
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

6,6-Dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid Security Information

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