Cas no 319474-61-8 (1H-Pyrazole-5-carboxylicacid, 3-methyl-1-(2-propen-1-yl)-)

1H-Pyrazole-5-carboxylicacid, 3-methyl-1-(2-propen-1-yl)- structure
319474-61-8 structure
Product Name:1H-Pyrazole-5-carboxylicacid, 3-methyl-1-(2-propen-1-yl)-
CAS No:319474-61-8
MF:C8H10N2O2
MW:166.177201747894
CID:301265
PubChem ID:21877533
Update Time:2025-08-03

1H-Pyrazole-5-carboxylicacid, 3-methyl-1-(2-propen-1-yl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-5-carboxylicacid, 3-methyl-1-(2-propen-1-yl)-
    • 1H-Pyrazole-5-carboxylicacid, 3-methyl-1-(2-propenyl)- (9CI)
    • 1-allyl-3-methyl-1H-pyrazole-5-carboxylic acid
    • 5-methyl-2-prop-2-enylpyrazole-3-carboxylic acid
    • D75529
    • SCHEMBL5251027
    • 319474-61-8
    • 3-Methyl-1-(prop-2-en-1-yl)-1H-pyrazole-5-carboxylic acid
    • DTXSID20619274
    • CS-0093978
    • 1-allyl-3-methyl-1H-pyrazole-5-carboxylicacid
    • FT-0741177
    • Inchi: 1S/C8H10N2O2/c1-3-4-10-7(8(11)12)5-6(2)9-10/h3,5H,1,4H2,2H3,(H,11,12)
    • InChI Key: HLMMLSCUQFNMDV-UHFFFAOYSA-N
    • SMILES: OC(C1=CC(C)=NN1CC=C)=O

Computed Properties

  • Exact Mass: 166.0743
  • Monoisotopic Mass: 166.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 194
  • 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: 1.2
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • PSA: 55.12

1H-Pyrazole-5-carboxylicacid, 3-methyl-1-(2-propen-1-yl)- Pricemore >>

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