Cas no 92945-28-3 (3-(2-methylpropyl)-1h-pyrazole-5-carboxylic acid ethyl ester)

3-(2-methylpropyl)-1h-pyrazole-5-carboxylic acid ethyl ester structure
92945-28-3 structure
Product Name:3-(2-methylpropyl)-1h-pyrazole-5-carboxylic acid ethyl ester
CAS No:92945-28-3
MF:C10H16N2O2
MW:196.246242523193
CID:999154
PubChem ID:3804408
Update Time:2025-04-20

3-(2-methylpropyl)-1h-pyrazole-5-carboxylic acid ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 3-(2-methylpropyl)-1h-pyrazole-5-carboxylic acid ethyl ester
    • ethyl 5-(2-methylpropyl)-1H-pyrazole-3-carboxylate
    • 5-Isobutyl-2H-pyrazole-3-carboxylic acid,ethyl ester
    • ethyl 3-isobutyl-1H-pyrazole-5-carboxylate
    • ethyl3-isobutyl-1H-pyrazole-5-carboxylate
    • DTXSID00396672
    • AKOS000135925
    • ethyl 3-(2-methylpropyl)-1H-pyrazole-5-carboxylate
    • E72391
    • A844397
    • MS-2220
    • 5-Isobutyl-2H-pyrazole-3-carboxylic acid, ethyl ester
    • 92945-28-3
    • SCHEMBL1233339
    • 5-Isobutyl-1H-pyrazol-3-carboxylic acid ethyl ester
    • AKOS005108255
    • BBL033538
    • DB-108941
    • STL312864
    • Inchi： 1S/C10H16N2O2/c1-4-14-10(13)9-6-8(11-12-9)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,11,12)
    • InChI Key： AFSADCYNSHGALW-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1C=C(CC(C)C)NN=1)=O

Computed Properties

  • Exact Mass: 196.12100
  • Monoisotopic Mass: 196.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 195
  • 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: 2.4
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • PSA: 54.98000
  • LogP: 1.78490

3-(2-methylpropyl)-1h-pyrazole-5-carboxylic acid ethyl ester Pricemore >>

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