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    CAS 26033-20-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 3-phenyl-1h-pyrazole-4-carboxaldehyde, Dtxsid10303211, Refchem:95309, Dtxcid00254344, 632-673-7, Occfxkqcksleii-uhfffaoysa-n
    Molecular Formula
    C10H8N2O
    Molecular Weight
    172.18  g/mol
    InChI Key
    OCCFXKQCKSLEII-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-phenyl-1H-pyrazole-4-carbaldehyde
    2.1.2 InChI
    InChI=1S/C10H8N2O/c13-7-9-6-11-12-10(9)8-4-2-1-3-5-8/h1-7H,(H,11,12)
    2.1.3 InChI Key
    OCCFXKQCKSLEII-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 3-phenyl-1h-pyrazole-4-carboxaldehyde

    2. Dtxsid10303211

    3. Refchem:95309

    4. Dtxcid00254344

    5. 632-673-7

    6. Occfxkqcksleii-uhfffaoysa-n

    7. 26033-20-5

    8. 5-phenyl-1h-pyrazole-4-carbaldehyde

    9. 1h-pyrazole-4-carboxaldehyde, 3-phenyl-

    10. Mfcd00216971

    11. 3-phenylpyrazole-4-carboxaldehyde

    12. 5-phenylpyrazole-4-carbaldehyde

    13. Nsc157355

    14. 3-phenyl-4-formylpyrazole

    15. Cambridge Id 5132647

    16. Mls000718594

    17. Schembl1335198

    18. Chembl1874396

    19. Schembl27991335

    20. Hms2668c08

    21. 3-phenyl-1h-pyrazol-4-carbaldehyd

    22. Albb-000093

    23. Bb_sc-07757

    24. Mfcd11900092

    25. Sbb000177

    26. Stk065359

    27. Stk114964

    28. Td8025

    29. Akos000112497

    30. Akos001476240

    31. 3-phenylpyrazole-4-carbaldehyde

    32. Ab04911

    33. Cs-w017599

    34. Nsc-157355

    35. Ncgc00342077-01

    36. Ac-28030

    37. Bp-11197

    38. Smr000290862

    39. St031615

    40. Sy032669

    41. Db-028826

    42. 3-phenyl-1h-pyrazole-4-carboxaldehyde, 97%

    43. En300-16825

    44. 2p-002

    45. Ab00582275-07

    46. 033p205

    47. Ae-848/32509041

    48. F015669

    49. Z56787297

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 172.18 g/mol
    Molecular Formula C10H8N2O
    XLogP31.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area45.8
    Heavy Atom Count13
    Formal Charge0
    Complexity178
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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