Cas no 42754-61-0 (1H-Pyrazole-4-carbonitrile,3-amino-5-phenyl-)

1H-Pyrazole-4-carbonitrile,3-amino-5-phenyl- structure
42754-61-0 structure
Product Name:1H-Pyrazole-4-carbonitrile,3-amino-5-phenyl-
CAS No:42754-61-0
MF:C10H8N4
MW:184.19732093811
CID:325213
PubChem ID:11229173
Update Time:2025-04-19

1H-Pyrazole-4-carbonitrile,3-amino-5-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carbonitrile,3-amino-5-phenyl-
    • 3-amino-5-phenyl-1H-pyrazole-4-carbonitrile
    • 3-Phenyl-4-cyan-5-amino-isoxazol
    • 4-Isoxazolecarbonitrile,5-amino-3-phenyl
    • 5-Amino-3-phenyl-1H-pyrazole-4-carbonitrile
    • 5-Amino-3-phenyl-4-cyan-isoxazol
    • 5-AMINO-3-PHENYL-ISOXAZOLE-4-CARBONITRILE
    • 5-Amino-3-phenylpyrazol-4-carbonitrile
    • 5-Amino-3-phenyl-pyrazolo-4-nitril
    • 5-amino-4-cyano-3-phenyl-1H-pyrazole
    • 5-amino-4-cyano-3-phenylisoxazole
    • 5-amino-4-cyano-3-phenylpyrazole
    • 42754-61-0
    • SR-01000416744
    • D87043
    • AKOS022231409
    • 5-amino-3-phenyl-1h pyrazole-4-carbonitrile
    • 3-amino-4-cyano-5-phenylpyrazole
    • FT-0745277
    • F77973
    • AKOS006228253
    • SCHEMBL2645516
    • SR-01000416744-1
    • Inchi: 1S/C10H8N4/c11-6-8-9(13-14-10(8)12)7-4-2-1-3-5-7/h1-5H,(H3,12,13,14)
    • InChI Key: PGZXQQILVKKFAU-UHFFFAOYSA-N
    • SMILES: N1C(=C(C#N)C(N)=N1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 184.07500
  • Monoisotopic Mass: 184.074896272g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 238
  • 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: 78.5?2

Experimental Properties

  • PSA: 78.49000
  • LogP: 2.11178

1H-Pyrazole-4-carbonitrile,3-amino-5-phenyl- Customs Data

  • HS CODE:2933199090
  • Customs Data:

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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