Cas no 784142-98-9 (1H-Pyrazole-5-carboxylic acid, 3-(3-bromophenyl)-1-methyl-, ethyl ester)

1H-Pyrazole-5-carboxylic acid, 3-(3-bromophenyl)-1-methyl-, ethyl ester structure
784142-98-9 structure
Product Name:1H-Pyrazole-5-carboxylic acid, 3-(3-bromophenyl)-1-methyl-, ethyl ester
CAS No:784142-98-9
MF:C13H13BrN2O2
MW:309.158522367477
CID:1792069
PubChem ID:57428256
Update Time:2025-04-21

1H-Pyrazole-5-carboxylic acid, 3-(3-bromophenyl)-1-methyl-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-5-carboxylic acid, 3-(3-bromophenyl)-1-methyl-, ethyl ester
    • SCHEMBL4489852
    • 784142-98-9
    • DA-02798
    • Inchi: 1S/C13H13BrN2O2/c1-3-18-13(17)12-8-11(15-16(12)2)9-5-4-6-10(14)7-9/h4-8H,3H2,1-2H3
    • InChI Key: BNQFPAOQKXUTGU-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)C1C=C(C(=O)OCC)N(C)N=1

Computed Properties

  • Exact Mass: 308.01604g/mol
  • Monoisotopic Mass: 308.01604g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 301
  • 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: 3.1
  • Topological Polar Surface Area: 44.1?2

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