Cas no 330792-70-6 (3-amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile)

3-amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile structure
330792-70-6 structure
Product Name:3-amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile
CAS No:330792-70-6
MF:C16H12N4O
MW:276.292682647705
MDL:MFCD28137676
CID:855418
PubChem ID:22346784
Update Time:2025-04-19

3-amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile
    • 3-Amino-4-cyano-5-(4-phenoxyphenyl)pyrazole
    • 1H-Pyrazole-4-carbonitrile, 3-amino-5-(4-phenoxyphenyl)-
    • 3-amino-5-(4-phenoxyphenyl)-1H-Pyrazole-4-carbonitrile
    • IBL 4
    • AK102032
    • ANW-62438
    • CTK8B9385
    • KB-244559
    • SureCN202119
    • HNIMEQCLCNSCGH-UHFFFAOYSA-N
    • 3-Amino-4-cyano-5-(4-phenoxyphenyl)pyrazole; 1H-Pyrazole-4-carbonitrile, 3-amino-5-(4-phenoxyphenyl)- (9CI, ACI); 3-Amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile (ACI); 3-Amino-4-cyano-5-(4-phenoxyphenyl)pyrazole
    • Ibrutinib N-3
    • MFCD28137676
    • SCHEMBL15472736
    • Ibrutinib intermediate3
    • SCHEMBL202119
    • CS-M2596
    • 330792-70-6
    • SY033527
    • S10997
    • 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile
    • AC-28743
    • 3-Amino-5-(4-phenoxyphenyl)-(1H)-pyrazole-4-carbonitrile
    • CS-13107
    • 3-amino-4-cyano-5-(4-phenoxypheny1)pyrazole
    • 5-amino-3-(4-phenoxy phenyl)-1H-pyrazole-4-carbonitrile
    • J-019007
    • AKOS016003989
    • DTXSID40625079
    • FYB4U6YMR3
    • BCP11040
    • DA-24246
    • 3-amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile
    • MDL： MFCD28137676
    • Inchi： 1S/C16H12N4O/c17-10-14-15(19-20-16(14)18)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-9H,(H3,18,19,20)
    • InChI Key： HNIMEQCLCNSCGH-UHFFFAOYSA-N
    • SMILES： O(C1C=CC=CC=1)C1C=CC(=CC=1)C1=C(C#N)C(N)=NN1

Computed Properties

  • Exact Mass: 276.10126
  • Monoisotopic Mass: 276.10111102g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 379
  • 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: 3.3
  • Topological Polar Surface Area: 87.7?2

Experimental Properties

  • Density: 1.37±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 585.3±50.0℃ at 760 mmHg
  • Solubility: Insuluble (3.0E-4 g/L) (25 oC),
  • PSA: 87.72

3-amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile Security Information

3-amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile Pricemore >>

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