Cas no 122818-18-2 (1-ethenyl-1H-Pyrazole-5-carboxylic acid methyl ester)

1-ethenyl-1H-Pyrazole-5-carboxylic acid methyl ester structure
122818-18-2 structure
Product Name:1-ethenyl-1H-Pyrazole-5-carboxylic acid methyl ester
CAS No:122818-18-2
MF:C7H8N2O2
MW:152.150621414185
CID:104397
PubChem ID:14149255
Update Time:2025-04-18

1-ethenyl-1H-Pyrazole-5-carboxylic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • 1-ethenyl-1H-Pyrazole-5-carboxylic acid methyl ester
    • 1H-Pyrazole-5-carboxylicacid, 1-ethenyl-, methyl ester
    • 1H-Pyrazole-5-carboxylicacid,1-ethenyl-,methylester(9CI)
    • methyl 2-ethenylpyrazole-3-carboxylate
    • Methyl 1-ethenyl-1H-pyrazole-5-carboxylate
    • 122818-18-2
    • DTXSID10556649
    • Methyl 1-vinyl-1H-pyrazole-5-carboxylate
    • Inchi: 1S/C7H8N2O2/c1-3-9-6(4-5-8-9)7(10)11-2/h3-5H,1H2,2H3
    • InChI Key: XEYPSBRKIJGKTI-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC=NN1C=C)=O

Computed Properties

  • Exact Mass: 152.05900
  • Monoisotopic Mass: 152.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 170
  • 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
  • Topological Polar Surface Area: 44.1?2

Experimental Properties

  • PSA: 44.12000
  • LogP: 0.77020
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