Cas no 16459-33-9 (Ethyl 5-amino-1-(2-nitrophenyl)-1H-pyrazole-4-carboxylate)

Ethyl 5-amino-1-(2-nitrophenyl)-1H-pyrazole-4-carboxylate structure
16459-33-9 structure
Product Name:Ethyl 5-amino-1-(2-nitrophenyl)-1H-pyrazole-4-carboxylate
CAS No:16459-33-9
MF:C12H12N4O4
MW:276.24808216095
MDL:MFCD07388503
CID:94870
PubChem ID:9993576
Update Time:2025-04-18

Ethyl 5-amino-1-(2-nitrophenyl)-1H-pyrazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-amino-1-(2-nitrophenyl)-1H-pyrazole-4-carboxylate
    • 5-Amino-1-(2-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
    • ethyl 5-amino-1-(2-nitrophenyl)pyrazole-4-carboxylate
    • 1-(2-Nitro-phenyl)-4-aethoxycarbonyl-5-amino-pyrazol
    • 5-amino-1-(2-nitro-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
    • ACN-000074
    • AK139382
    • I14-13513
    • KB-244399
    • FT-0704520
    • MFCD07388503
    • 16459-33-9
    • AKOS000260187
    • A3654
    • DTXSID70433886
    • ethyl5-amino-1-(2-nitrophenyl)-1H-pyrazole-4-carboxylate
    • 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2-nitrophenyl)-, ethyl ester
    • DB-064541
    • MDL： MFCD07388503
    • Inchi： 1S/C12H12N4O4/c1-2-20-12(17)8-7-14-15(11(8)13)9-5-3-4-6-10(9)16(18)19/h3-7H,2,13H2,1H3
    • InChI Key： QZENFUUIIWCQAT-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1C=NN(C=1N)C1C=CC=CC=1[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 276.08596
  • Monoisotopic Mass: 276.086
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 373
  • 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
  • Topological Polar Surface Area: 116A^2
  • XLogP3: 2.1

Experimental Properties

  • Density: 1.45
  • Melting Point: 115-116 oC
  • Boiling Point: 464.195 °C at 760 mmHg
  • Flash Point: 234.537 °C
  • PSA: 113.28

Ethyl 5-amino-1-(2-nitrophenyl)-1H-pyrazole-4-carboxylate Pricemore >>

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