Cas no 221323-58-6 (3-formyl-1-methyl-1H-pyrazole-5-carboxylic acid)

3-formyl-1-methyl-1H-pyrazole-5-carboxylic acid structure
221323-58-6 structure
Product Name:3-formyl-1-methyl-1H-pyrazole-5-carboxylic acid
CAS No:221323-58-6
MF:C6H6N2O3
MW:154.12344121933
MDL:MFCD13174857
CID:244237
PubChem ID:45082093
Update Time:2025-04-19

3-formyl-1-methyl-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-5-carboxylicacid, 3-formyl-1-methyl-
    • 5-Formyl-2-methyl-2H-pyrazole-3-carboxylicacid
    • 3-formyl-1-methyl-1H-Pyrazole-5-carboxylic acid
    • 5-formyl-2-methylpyrazole-3-carboxylic acid
    • DTXSID50665087
    • AKOS023428106
    • CS-0372646
    • AT14230
    • FT-0750734
    • 221323-58-6
    • 1H-Pyrazole-5-carboxylic acid, 3-formyl-1-methyl- (9CI)
    • 1H-Pyrazole-5-carboxylic acid,3-formyl-1-methyl-(9ci)
    • SCHEMBL7421182
    • Z1255494707
    • 3-formyl-1-methyl-1H-Pyrazole-5-carboxylicacid
    • EN300-252590
    • 3-formyl-1-methyl-1H-pyrazole-5-carboxylic acid
    • MDL： MFCD13174857
    • Inchi： 1S/C6H6N2O3/c1-8-5(6(10)11)2-4(3-9)7-8/h2-3H,1H3,(H,10,11)
    • InChI Key： UUKTVALKHIMMHN-UHFFFAOYSA-N
    • SMILES： OC(C1=CC(C=O)=NN1C)=O

Computed Properties

  • Exact Mass: 154.03788
  • Monoisotopic Mass: 154.038
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 183
  • 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: 72.2A^2
  • XLogP3: -0.1

Experimental Properties

  • PSA: 72.19

3-formyl-1-methyl-1H-pyrazole-5-carboxylic acid Pricemore >>

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