Cas no 512845-61-3 (1H-Pyrazole-4-carbonitrile,3-amino-5-[(4-methoxyphenyl)amino]-1-methyl-)

1H-Pyrazole-4-carbonitrile,3-amino-5-[(4-methoxyphenyl)amino]-1-methyl- structure
512845-61-3 structure
Product Name:1H-Pyrazole-4-carbonitrile,3-amino-5-[(4-methoxyphenyl)amino]-1-methyl-
CAS No:512845-61-3
MF:C12H13N5O
MW:243.264521360397
CID:362645
Update Time:2024-01-28

1H-Pyrazole-4-carbonitrile,3-amino-5-[(4-methoxyphenyl)amino]-1-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carbonitrile,3-amino-5-[(4-methoxyphenyl)amino]-1-methyl-
    • 1H-Pyrazole-4-carbonitrile, 3-amino-5-[(4-methoxyphenyl)amino]-1-methyl-
    • Inchi: 1S/C12H13N5O/c1-17-12(10(7-13)11(14)16-17)15-8-3-5-9(18-2)6-4-8/h3-6,15H,1-2H3,(H2,14,16)
    • InChI Key: WZRGZGUCMMKCCL-UHFFFAOYSA-N
    • SMILES: N1(C)C(NC2=CC=C(OC)C=C2)=C(C#N)C(N)=N1

Computed Properties

  • Exact Mass: 243.11219

Experimental Properties

  • Density: 1.29±0.1 g/cm3(Predicted)
  • Melting Point: 144 °C(Solv: ethanol (64-17-5))
  • Boiling Point: 477.0±45.0 °C(Predicted)
  • PSA: 88.89
  • pka: 2.36±0.50(Predicted)
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