Cas no 1007541-94-7 (5-Methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid)

5-Methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid structure
1007541-94-7 structure
Product Name:5-Methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
CAS No:1007541-94-7
MF:C8H12N2O2
MW:168.193081855774
CID:2104022
PubChem ID:23005671
Update Time:2024-11-05

5-Methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-isopropyl-5-methyl-1H-pyrazole-4-carboxylic acid
    • 5-methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
    • IIUHZXGAQHOQSG-UHFFFAOYSA-N
    • NE34976
    • AKOS003673000
    • Z802539828
    • CS-0120143
    • SCHEMBL574416
    • AT10396
    • 5-methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylicacid
    • 5-methyl-1-propan-2-ylpyrazole-4-carboxylic acid
    • 1007541-94-7
    • EN300-124985
    • DA-29271
    • 5-Methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
    • Inchi： 1S/C8H12N2O2/c1-5(2)10-6(3)7(4-9-10)8(11)12/h4-5H,1-3H3,(H,11,12)
    • InChI Key： IIUHZXGAQHOQSG-UHFFFAOYSA-N
    • SMILES： OC(C1C=NN(C=1C)C(C)C)=O

Computed Properties

  • Exact Mass: 168.089877630g/mol
  • Monoisotopic Mass: 168.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 182
  • 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: 55.1
  • XLogP3: 0.9

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 300.7±22.0 °C at 760 mmHg
  • Flash Point: 135.7±22.3 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

5-Methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid Security Information

5-Methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid Pricemore >>

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