Cas no 926203-48-7 (4-5-amino-4-(ethoxycarbonyl)-1H-pyrazol-1-ylbenzoic acid)

4-5-amino-4-(ethoxycarbonyl)-1H-pyrazol-1-ylbenzoic acid structure
926203-48-7 structure
Product Name:4-5-amino-4-(ethoxycarbonyl)-1H-pyrazol-1-ylbenzoic acid
CAS No:926203-48-7
MF:C13H13N3O4
MW:275.260022878647
MDL:MFCD03030342
CID:998694
PubChem ID:16740652
Update Time:2025-07-29

4-5-amino-4-(ethoxycarbonyl)-1H-pyrazol-1-ylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 5-AMINO-1-(4-CARBOXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
    • 4-(5-amino-4-ethoxycarbonylpyrazol-1-yl)benzoic acid
    • 4-5-amino-4-(ethoxycarbonyl)-1H-pyrazol-1-ylbenzoic acid
    • BMB20348
    • 4-[5-amino-4-(ethoxycarbonyl)-1H-pyrazol-1-yl]benzoic acid
    • 4-(5-Amino-4-(ethoxycarbonyl)-1H-pyrazol-1-yl)benzoic acid
    • 4-(5-Amino-4-(ethoxycarbonyl)-1H-pyrazol-1-yl)benzoicacid
    • Z55410358
    • CCG-139720
    • MFCD03030342
    • AKOS000127360
    • 5-amino-1-(4-carboxyphenyl)-1h-pyrazole-4-carboxylic acid ethyl ester
    • DTXSID50587614
    • EN300-111000
    • 926203-48-7
    • G21960
    • 4-[5-AMINO-4-(ETHOXYCARBONYL)PYRAZOL-1-YL]BENZOIC ACID
    • MDL: MFCD03030342
    • Inchi: 1S/C13H13N3O4/c1-2-20-13(19)10-7-15-16(11(10)14)9-5-3-8(4-6-9)12(17)18/h3-7H,2,14H2,1H3,(H,17,18)
    • InChI Key: VKZHLZVPPYNFLB-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=NN(C=1N)C1C=CC(C(=O)O)=CC=1)=O

Computed Properties

  • Exact Mass: 275.09100
  • Monoisotopic Mass: 275.09060590g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 369
  • 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: 1.8
  • Topological Polar Surface Area: 107?2

Experimental Properties

  • Density: 1.414
  • Boiling Point: 487.196°C at 760 mmHg
  • Flash Point: 248.448°C
  • Refractive Index: 1.639
  • PSA: 107.44000
  • LogP: 1.91060

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