Pyrazole carboxylic acids and derivatives

Description:

Heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group.

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  1. 3,5-Pyrazoledicarboxylic Acid
    CAS: 3112-31-0 EC Number: 221-474-7 Formula: C5H4N2O4 Molecular Weight: 156.10
    Solid ≥95%
    Out of Stock Item #: P1505168
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    Technical Identifiers
    IUPAC Name
    1H-pyrazole-3,5-dicarboxylic acid
    SMILES
    C1=C(NN=C1C(=O)O)C(=O)O
    InChIKey
    YDMVPJZBYSWOOP-UHFFFAOYSA-N
    InChI
    1S/C5H4N2O4/c8-4(9)2-1-3(5(10)11)7-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)
    Synonyms
    3,5-Pyrazoledicarboxylic acid | 3,5-pyrazole-dicarboxylic acid | FT-0634672 | 3-methyl-butyryl chloride | DTXSID90185...
  2. 5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid
    CAS: 128455-63-0 PubChem CID: 2773806 Formula: C6H4ClF3N2O2 Molecular Weight: 228.56
    Solid ≥95%
    Out of Stock Item #: C1369322
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    Technical Identifiers
    IUPAC Name
    5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
    SMILES
    CN1C(=C(C(=N1)C(F)(F)F)C(=O)O)Cl
    InChIKey
    IKGVBNQPAJOSFP-UHFFFAOYSA-N
    InChI
    1S/C6H4ClF3N2O2/c1-12-4(7)2(5(13)14)3(11-12)6(8,9)10/h1H3,(H,13,14)
    Synonyms
    5-Chloro-1-Methyl-3-(Trifluoromethyl)-4-Pyrazolecarboxylate | Zinc02558767 | 5-Chloro-1-methyl-3-(trifluoromethyl)-1H...
  3. 5-Amino-1-methylpyrazole-4-carboxamide
    CAS: 18213-75-7 PubChem CID: 265696 Formula: C5H8N4O Molecular Weight: 140.15
    Solid ≥97%
    Out of Stock Item #: A1073734
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    Technical Identifiers
    SMILES
    CN1C(=C(C=N1)C(=O)N)N
    InChI
    1S/C5H8N4O/c1-9-4(6)3(2-8-9)5(7)10/h2H,6H2,1H3,(H2,7,10)
  4. Suprafenacine
    CAS: 1477482-50-0 PubChem CID: 6861947 Formula: C16H18N4O Molecular Weight: 282.34
    Out of Stock Item #: S991535
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    IUPAC Name
    N-[(E)-(4-methylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
    SMILES
    CC1=CC=C(C=C1)C=NNC(=O)C2=NNC3=C2CCCC3
    InChIKey
    WKKLZIQHOXPLLZ-LICLKQGHSA-N
    InChI
    1S/C16H18N4O/c1-11-6-8-12(9-7-11)10-17-20-16(21)15-13-4-2-3-5-14(13)18-19-15/h6-10H,2-5H2,1H3,(H,18,19)(H,20,21)/b17-10+
  5. EP1-antanoist-1
    CAS: 851204-35-8 Formula: C19H15BrCl2N2O3 Molecular Weight: 470.100
    Out of Stock Item #: E929793
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    Technical Identifiers
    IUPAC Name
    1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylic acid
    SMILES
    CC1=CC(=NN1CC2=C(C=CC(=C2)Br)OCC3=C(C=C(C=C3)Cl)Cl)C(=O)O
    InChIKey
    XBECMWNKXTURNS-UHFFFAOYSA-N
    InChI
    1S/C19H15BrCl2N2O3/c1-11-6-17(19(25)26)23-24(11)9-13-7-14(20)3-5-18(13)27-10-12-2-4-15(21)8-16(12)22/h2-8H,9-10H2,1H3,(H,25,26)
  6. 5-(5-Methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid
    CAS: 879442-52-1 PubChem CID: 651228 Formula: C9H8N2O3
    Powder ≥98%
    Out of Stock Item #: H768624
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    Technical Identifiers
    IUPAC Name
    5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid
    SMILES
    CC1=CC=C(O1)C2=CC(=NN2)C(=O)O
    InChIKey
    GOUUZIMECSCUHZ-UHFFFAOYSA-N
    InChI
    1S/C9H8N2O3/c1-5-2-3-8(14-5)6-4-7(9(12)13)11-10-6/h2-4H,1H3,(H,10,11)(H,12,13)
  7. ethyl 1H,4H,5H,7H-pyrano[3,4-c]pyrazole-3-carboxylate
    CAS: 1630096-71-7 PubChem CID: 78265149 Formula: C9H12N2O3 Molecular Weight: 196.21
    Out of Stock Item #: E769575
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    Technical Identifiers
    IUPAC Name
    ethyl 1,4,5,7-tetrahydropyrano[3,4-c]pyrazole-3-carboxylate
    SMILES
    CCOC(=O)C1=NNC2=C1CCOC2
    InChIKey
    HIOXBJUAJSRZGE-UHFFFAOYSA-N
    InChI
    1S/C9H12N2O3/c1-2-14-9(12)8-6-3-4-13-5-7(6)10-11-8/h2-5H2,1H3,(H,10,11)
  8. Ethyl 1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate
    CAS: 1199590-80-1 PubChem CID: 44558860 Formula: C14H16N2O3 Molecular Weight: 260.28
    Solid ≥97%
    Out of Stock Item #: E770527
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    Technical Identifiers
    IUPAC Name
    ethyl 1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate
    SMILES
    CCOC(=O)C1=CN(N=C1)CC2=CC=C(C=C2)OC
    InChIKey
    KMKGIDHKTPDZRT-UHFFFAOYSA-N
    InChI
    1S/C14H16N2O3/c1-3-19-14(17)12-8-15-16(10-12)9-11-4-6-13(18-2)7-5-11/h4-8,10H,3,9H2,1-2H3
  9. 1H-Pyrazole-5-carboxylic acid, 3-amino-1-methyl-, ethyl ester
    CAS: 89088-57-3 PubChem CID: 13248994
    Out of Stock Item #: H769691
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    Technical Identifiers
    IUPAC Name
    ethyl 5-amino-2-methylpyrazole-3-carboxylate
    SMILES
    CCOC(=O)C1=CC(=NN1C)N
    InChIKey
    AVAANYHFUXNOPC-UHFFFAOYSA-N
    InChI
    1S/C7H11N3O2/c1-3-12-7(11)5-4-6(8)9-10(5)2/h4H,3H2,1-2H3,(H2,8,9)
  10. 1H-Pyrazole-1-carboxylic acid, 3-borono-, 1-(1,1-dimethylethyl) ester
    CAS: 1162261-97-3 Formula: C8H13BN2O4 Molecular Weight: 212.0108
    Out of Stock Item #: H769555
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    Technical Identifiers
    SMILES
    B(C1=NN(C=C1)C(=O)OC(C)(C)C)(O)O
    InChIKey
    WYFZWYIHBPVOPY-UHFFFAOYSA-N
    InChI
    1S/C8H13BN2O4/c1-8(2,3)15-7(12)11-5-4-6(10-11)9(13)14/h4-5,13-14H,1-3H3
  11. Ethyl 4-amino-1H-pyrazole-3-carboxylate
    CAS: 55904-61-5 Formula: C6H9N3O2 Molecular Weight: 155.15
    Solid ≥95%
    In Stock Item #: E709367
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    Technical Identifiers
    IUPAC Name
    ethyl 4-amino-1H-pyrazole-5-carboxylate
    SMILES
    CCOC(=O)C1=C(C=NN1)N
    InChIKey
    JLIFAQGFWIYWDA-UHFFFAOYSA-N
    InChI
    1S/C6H9N3O2/c1-2-11-6(10)5-4(7)3-8-9-5/h3H,2,7H2,1H3,(H,8,9)
  12. 4-Chloro-3-methyl-1H-pyrazole-5-carboxylic acid
    CAS: 29400-84-8 EC Number: 801-868-0 PubChem CID: 17688981 Formula: C5H5ClN2O2 Molecular Weight: 160.56
    Out of Stock Item #: C728956
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    Technical Identifiers
    IUPAC Name
    4-chloro-5-methyl-1H-pyrazole-3-carboxylic acid
    SMILES
    CC1=C(C(=NN1)C(=O)O)Cl
    InChIKey
    FWSYEYQXPSSQMV-UHFFFAOYSA-N
    InChI
    1S/C5H5ClN2O2/c1-2-3(6)4(5(9)10)8-7-2/h1H3,(H,7,8)(H,9,10)
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