Pyrazolines

Description:

Compounds containing a pyrazoline ring, which is a five-member saturated aliphatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.

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  1. C.I. Solvent Yellow 93
    CAS: 4702-90-3 EC Number: 225-184-1 Formula: C21H18N4O2 Molecular Weight: 358.4
    Out of Stock Item #: C1326182
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    IUPAC Name
    (4E)-5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]-2-phenylpyrazol-3-one
    SMILES
    CC1=NN(C(=O)C1/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4
    InChIKey
    QPAPQRFSPBUJAU-CPNJWEJPSA-N
    InChI
    1S/C21H18N4O2/c1-14-18(20(26)24(22-14)16-9-5-3-6-10-16)13-19-15(2)23-25(21(19)27)17-11-7-4-8-12-17/h3-13,18H,1-2H3/b19-13+
  2. 3,4-Dimethyl-5-pyrazolone
    CAS: 6628-22-4 PubChem CID: 97947 Formula: C5H8N2O
    Solid ≥97%
    Out of Stock Item #: D770702
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    Technical Identifiers
    IUPAC Name
    3,4-dimethyl-1,4-dihydropyrazol-5-one
    SMILES
    CC1C(=NNC1=O)C
    InChIKey
    PRCIXKQBKWRGMA-UHFFFAOYSA-N
    InChI
    1S/C5H8N2O/c1-3-4(2)6-7-5(3)8/h3H,1-2H3,(H,7,8)
  3. Edaravone-d5
    CAS: 1228765-67-0 Formula: C10D5H5N2O Molecular Weight: 179.23
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98 atom% D,≥98%(CP)
    In Stock Item #: E757791
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    IUPAC Name
    5-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)-4H-pyrazol-3-one
    SMILES
    CC1=NN(C(=O)C1)C2=CC=CC=C2
    InChIKey
    QELUYTUMUWHWMC-VIQYUKPQSA-N
    InChI
    1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3/i2D,3D,4D,5D,6D
    Synonyms
    5-methyl-2-(2,3,4,5,6-pentadeuteriophenyl)-4H-pyrazol-3-one | 5-Methyl-2-(phenyl-d5)-2,4-dihydro-3H-pyrazol-3-one
  4. 3-Cyclopropyl-4,5-Dihydro-1H-Pyrazol-5-One
    CAS: 199125-36-5 PubChem CID: 12065262 Formula: C6H8N2O Molecular Weight: 124.14
    Out of Stock Item #: C726459
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    IUPAC Name
    5-cyclopropyl-1,2-dihydropyrazol-3-one
    SMILES
    C1CC1C2=CC(=O)NN2
    InChIKey
    ONAVRRIFDWJRIC-UHFFFAOYSA-N
    InChI
    1S/C6H8N2O/c9-6-3-5(7-8-6)4-1-2-4/h3-4H,1-2H2,(H2,7,8,9)
  5. Ethyl 5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate
    CAS: 58607-90-2 Formula: C6H8N2O3 Molecular Weight: 156.14
    Solid ≥95%
    Out of Stock Item #: E696478
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    IUPAC Name
    ethyl 5-oxo-1,4-dihydropyrazole-3-carboxylate
    SMILES
    CCOC(=O)C1=NNC(=O)C1
    InChIKey
    KNWNWWDKWKYUBB-UHFFFAOYSA-N
    InChI
    1S/C6H8N2O3/c1-2-11-6(10)4-3-5(9)8-7-4/h2-3H2,1H3,(H,8,9)
    Synonyms
    Ethyl 5-oxo-5H-pyrazole-3-carboxylate
  6. tert-butyl 3-hydroxy-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
    CAS: 152559-30-3 PubChem CID: 384447 Formula: C11H17N3O3 Molecular Weight: 239.28
    Solid ≥95%
    Out of Stock Item #: T697591
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    IUPAC Name
    tert-butyl 3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-5-carboxylate
    SMILES
    CC(C)(C)OC(=O)N1CCC2=C(C1)C(=O)NN2
    InChIKey
    DTLXVAXCKABFRY-UHFFFAOYSA-N
    InChI
    1S/C11H17N3O3/c1-11(2,3)17-10(16)14-5-4-8-7(6-14)9(15)13-12-8/h4-6H2,1-3H3,(H2,12,13,15)
    Synonyms
    3-Oxo-1,2,3,4,6,7-hexahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester
  7. 5-Amino-1-(sec-butyl)-1H-pyrazol-3-ol
    CAS: 436088-85-6 PubChem CID: 649343 Formula: C7H13N3O Molecular Weight: 155.2
    Out of Stock Item #: A698620
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    IUPAC Name
    3-amino-2-butan-2-yl-1H-pyrazol-5-one
    SMILES
    CCC(C)N1C(=CC(=O)N1)N
    InChIKey
    RXDUGOJOOXUICD-UHFFFAOYSA-N
    InChI
    1S/C7H13N3O/c1-3-5(2)10-6(8)4-7(11)9-10/h4-5H,3,8H2,1-2H3,(H,9,11)
  8. 5-Amino-1-cyclopentyl-1H-pyrazol-3-ol
    CAS: 436088-87-8 PubChem CID: 801265 Formula: C8H13N3O Molecular Weight: 167.21
    Out of Stock Item #: A699083
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    IUPAC Name
    3-amino-2-cyclopentyl-1H-pyrazol-5-one
    SMILES
    C1CCC(C1)N2C(=CC(=O)N2)N
    InChIKey
    PLEUJIDJQYIEKB-UHFFFAOYSA-N
    InChI
    1S/C8H13N3O/c9-7-5-8(12)10-11(7)6-3-1-2-4-6/h5-6H,1-4,9H2,(H,10,12)
  9. 4,5,6,7-Tetrahydro-1H-Indazol-3(2H)-One
    CAS: 4344-73-4 PubChem CID: 815678
    Out of Stock Item #: T690726
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    Technical Identifiers
    IUPAC Name
    1,2,4,5,6,7-hexahydroindazol-3-one
    SMILES
    C1CCC2=C(C1)C(=O)NN2
    InChIKey
    UFNPJQRQWKZJNL-UHFFFAOYSA-N
    InChI
    1S/C7H10N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-4H2,(H2,8,9,10)
  10. 4-Bromo-3-methyl-1H-pyrazol-5(4H)-one
    CAS: 51395-52-9 PubChem CID: 269249 Formula: C4H5BrN2O Molecular Weight: 177
    Out of Stock Item #: B697007
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    Technical Identifiers
    IUPAC Name
    4-bromo-3-methyl-1,4-dihydropyrazol-5-one
    SMILES
    CC1=NNC(=O)C1Br
    InChIKey
    PFZZZDVWAXUXGE-UHFFFAOYSA-N
    InChI
    1S/C4H5BrN2O/c1-2-3(5)4(8)7-6-2/h3H,1H3,(H,7,8)
  11. 4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H- pyrazol-3-one
    CAS: 65287-96-9 PubChem CID: 2763688 Formula: C6H10N2O2 Molecular Weight: 142.15
    Out of Stock Item #: M700579
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    Technical Identifiers
    IUPAC Name
    4-(2-hydroxyethyl)-5-methyl-1,2-dihydropyrazol-3-one
    SMILES
    CC1=C(C(=O)NN1)CCO
    InChIKey
    DJBJHPDVWKRAJB-UHFFFAOYSA-N
    InChI
    1S/C6H10N2O2/c1-4-5(2-3-9)6(10)8-7-4/h9H,2-3H2,1H3,(H2,7,8,10)
  12. 3, 4-Dimethyl-1H-pyrazol-5-ol
    CAS: 145092-15-5 PubChem CID: 3364477 Formula: C5H8N2O Molecular Weight: 112.13
    Solid ≥98%
    Out of Stock Item #: D690819
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    Technical Identifiers
    IUPAC Name
    4,5-dimethyl-1,2-dihydropyrazol-3-one
    SMILES
    CC1=C(NNC1=O)C
    InChIKey
    CMTNHTJUNZPFMW-UHFFFAOYSA-N
    InChI
    1S/C5H8N2O/c1-3-4(2)6-7-5(3)8/h1-2H3,(H2,6,7,8)
    Synonyms
    4,5-Dimethyl-1H-pyrazol-3-ol
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