Cas no 51986-01-7 (5-Hydroxy-1-isopropyl-1h-pyrazole-3-carboxylic acid ethyl ester)

5-Hydroxy-1-isopropyl-1h-pyrazole-3-carboxylic acid ethyl ester structure
51986-01-7 structure
Product Name:5-Hydroxy-1-isopropyl-1h-pyrazole-3-carboxylic acid ethyl ester
CAS No:51986-01-7
MF:C9H14N2O3
MW:198.219062328339
MDL:MFCD17676308
CID:2182720
PubChem ID:46942337
Update Time:2025-04-21

5-Hydroxy-1-isopropyl-1h-pyrazole-3-carboxylic acid ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 5-Hydroxy-1-isopropyl-1h-pyrazole-3-carboxylic acid ethyl ester
    • ethyl 5-hydroxy-1-(propan-2-yl)-1H-pyrazole-3- carboxylate
    • SCHEMBL5208277
    • CUQCWAOAGZNOSF-UHFFFAOYSA-N
    • DB-263583
    • Ethyl5-hydroxy-1-isopropyl-1H-pyrazole-3-carboxylate
    • AKOS015917325
    • ethyl 3-oxo-2-propan-2-yl-1H-pyrazole-5-carboxylate
    • Ethyl 5-hydroxy-1-isopropyl-1H-pyrazole-3-carboxylate
    • SB37480
    • MFCD17676308
    • 1H-Pyrazole-3-carboxylic acid, 5-hydroxy-1-(1-methylethyl)-, ethyl ester
    • CS-0036006
    • W12003
    • 51986-01-7
    • AS-72975
    • ethyl 5-hydroxy-1-(propan-2-yl)-1H-pyrazole-3-carboxylate
    • MDL: MFCD17676308
    • Inchi: 1S/C9H14N2O3/c1-4-14-9(13)7-5-8(12)11(10-7)6(2)3/h5-6,10H,4H2,1-3H3
    • InChI Key: VRKREWITIKPZPL-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=CC(N(C(C)C)N1)=O)=O

Computed Properties

  • Exact Mass: 198.10044231g/mol
  • Monoisotopic Mass: 198.10044231g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 284
  • 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: 1.1
  • Topological Polar Surface Area: 58.6?2

5-Hydroxy-1-isopropyl-1h-pyrazole-3-carboxylic acid ethyl ester Pricemore >>

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