Cas no 29097-01-6 (1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, methyl ester)

1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, methyl ester structure
29097-01-6 structure
Product Name:1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, methyl ester
CAS No:29097-01-6
MF:C11H11N3O2
MW:217.223942041397
MDL:MFCD02956507
CID:3931174
PubChem ID:4191879
Update Time:2025-04-22

1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, methyl ester
    • methyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate
    • SCHEMBL2743090
    • HMS1504D15
    • CHEMBL1502013
    • EN300-6509899
    • MFCD02956507
    • SR-01000099677-1
    • ALBB-019479
    • IDI1_028551
    • MLS000660486
    • AKOS000266375
    • ChemDiv3_010993
    • 29097-01-6
    • methyl 5-amino-1-phenylpyrazole-4-carboxylate
    • SMR000310005
    • AP-156/15659021
    • HMS2747K05
    • CCG-139781
    • SR-01000099677
    • DTXSID501233483
    • STL373675
    • BRD-K99048280-001-01-5
    • MDL: MFCD02956507
    • Inchi: InChI=1S/C11H11N3O2/c1-16-11(15)9-7-13-14(10(9)12)8-5-3-2-4-6-8/h2-7H,12H2,1H3
    • InChI Key: OTNRBFVNDLYVEK-UHFFFAOYSA-N
    • SMILES: COC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N

Computed Properties

  • Exact Mass: 217.085126602Da
  • Monoisotopic Mass: 217.085126602Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 254
  • 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: 1.9
  • Topological Polar Surface Area: 70.1?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 374.2±22.0 °C at 760 mmHg
  • Flash Point: 180.1±22.3 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, methyl ester Security Information

1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, methyl ester Pricemore >>

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