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Pyrazoles

Description:

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

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Azoles ⮕ Pyrazoles

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  1. 3,5-Pyrazoledicarboxylic Acid
    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
    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
    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. 5-(2-Chlorophenyl)-1H-pyrazole-3-carboxylic acid
    5-(2-Chlorophenyl)-1H-pyrazole-3-carboxylic acid
    CAS: 1197631-00-7 Formula: C10H7ClN2O2 Molecular Weight: 222.63
    Solid ≥97%
    Out of Stock Item #: C1369838
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    Technical Identifiers
    IUPAC Name
    3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid
    SMILES
    C1=CC=C(C(=C1)C2=NNC(=C2)C(=O)O)Cl
    InChIKey
    YECLPKDINYXXNB-UHFFFAOYSA-N
    InChI
    1S/C10H7ClN2O2/c11-7-4-2-1-3-6(7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
  5. Niraxostat
    Niraxostat
    CAS: 206884-98-2 PubChem CID: 449035
    ≥98%
    Out of Stock Item #: N1066037
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    IUPAC Name
    1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylic acid
    SMILES
    CC(C)(C)COC1=C(C=C(C=C1)N2C=C(C=N2)C(=O)O)C#N
    InChIKey
    AETHRPHBGJAIBT-UHFFFAOYSA-N
    InChI
    1S/C16H17N3O3/c1-16(2,3)10-22-14-5-4-13(6-11(14)7-17)19-9-12(8-18-19)15(20)21/h4-6,8-9H,10H2,1-3H3,(H,20,21)
  6. Cox2-IN-1
    Cox2-IN-1
    CAS: 134729-13-8 PubChem CID: 10042938
    ≥99%
    Out of Stock Item #: C978214
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    Technical Identifiers
    IUPAC Name
    1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile
    SMILES
    CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)F)C#N
    InChIKey
    NKBRWXWNSUIHNI-UHFFFAOYSA-N
    InChI
    1S/C17H12FN3O2S/c1-24(22,23)16-8-2-12(3-9-16)17-10-14(11-19)20-21(17)15-6-4-13(18)5-7-15/h2-10H,1H3
  7. 5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol
    5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol
    CAS: 948901-10-8 Formula: C17H16N2O3 Molecular Weight: 296.320
    Out of Stock Item #: M1014196
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    Technical Identifiers
    IUPAC Name
    5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
    SMILES
    COC1=CC=C(C=C1)C2=C(NN=C2)C3=C(C=C(C=C3)OC)O
    InChIKey
    HSFFXTIWNUXDGF-UHFFFAOYSA-N
    InChI
    1S/C17H16N2O3/c1-21-12-5-3-11(4-6-12)15-10-18-19-17(15)14-8-7-13(22-2)9-16(14)20/h3-10,20H,1-2H3,(H,18,19)
  8. 3-(3-phenyl-4-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-pyrazol-1-yl)propanenitrile
    3-(3-phenyl-4-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-pyrazol-1-yl)propanenitrile
    CAS: 475626-30-3 Formula: C17H13N5O3 Molecular Weight: 335.320
    Out of Stock Item #: P993964
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    Technical Identifiers
    IUPAC Name
    3-[3-phenyl-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrazol-1-yl]propanenitrile
    SMILES
    C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=O)NC3=O)CCC#N
    InChIKey
    PQFSMDQCXMNEHD-UHFFFAOYSA-N
    InChI
    1S/C17H13N5O3/c18-7-4-8-22-10-12(14(21-22)11-5-2-1-3-6-11)9-13-15(23)19-17(25)20-16(13)24/h1-3,5-6,9-10H,4,8H2,(H2,19,20,23,24,25)
  9. 4'-Hydroxycelecoxib
    4'-Hydroxycelecoxib
    CAS: 170571-00-3 PubChem CID: 9908776 Formula: C17H14F3N3O3S Molecular Weight: 397.37
    Out of Stock Item #: H1358493
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    Technical Identifiers
    IUPAC Name
    4-[5-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
    SMILES
    C1=CC(=CC=C1CO)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
    InChIKey
    ICRSYPPLGADZKA-UHFFFAOYSA-N
    InChI
    1S/C17H14F3N3O3S/c18-17(19,20)16-9-15(12-3-1-11(10-24)2-4-12)23(22-16)13-5-7-14(8-6-13)27(21,25)26/h1-9,24H,10H2,(H2,21,25,26)
  10. 2-[5-(2-Fluorophenyl)-1H-pyrazol-3-yl]phenol
    2-[5-(2-Fluorophenyl)-1H-pyrazol-3-yl]phenol
    CAS: 38376-29-3 PubChem CID: 136226476 Formula: C15H11FN2O Molecular Weight: 254.26
    ≥99%
    Out of Stock Item #: F999516
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    Technical Identifiers
    IUPAC Name
    2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol
    SMILES
    C1=CC=C(C(=C1)C2=NNC(=C2)C3=CC=CC=C3F)O
    InChIKey
    SJPGLKXXUIEFLO-UHFFFAOYSA-N
    InChI
    1S/C15H11FN2O/c16-12-7-3-1-5-10(12)13-9-14(18-17-13)11-6-2-4-8-15(11)19/h1-9,19H,(H,17,18)
  11. 1-(2-Chlorophenyl)-1,5-dihydro-6-((2S)-3,3,3-trifluoro-2-methylpropyl)-4H-pyrazolo(3,4-d)pyrimidin-4-one
    1-(2-Chlorophenyl)-1,5-dihydro-6-((2S)-3,3,3-trifluoro-2-methylpropyl)-4H-pyrazolo(3,4-d)pyrimidin-4-one
    CAS: 794568-91-5 PubChem CID: 135566505
    ≥99%
    Out of Stock Item #: C982084
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    Technical Identifiers
    IUPAC Name
    1-(2-chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
    SMILES
    CC(CC1=NC2=C(C=NN2C3=CC=CC=C3Cl)C(=O)N1)C(F)(F)F
    InChIKey
    FFPXPXOAFQCNBS-QMMMGPOBSA-N
    InChI
    1S/C15H12ClF3N4O/c1-8(15(17,18)19)6-12-21-13-9(14(24)22-12)7-20-23(13)11-5-3-2-4-10(11)16/h2-5,7-8H,6H2,1H3,(H,21,22,24)/t8-/m0/s1
  12. 1-Benzyl-4-(4-bromophenyl)-5-(3-imidazol-1-ylpropyl)-3-phenyl-4H-pyrrolo[3,4-c]pyrazol-6-one
    1-Benzyl-4-(4-bromophenyl)-5-(3-imidazol-1-ylpropyl)-3-phenyl-4H-pyrrolo[3,4-c]pyrazol-6-one
    CAS: 1542066-69-2 PubChem CID: 78210009 Formula: C30H26BrN5O Molecular Weight: 552.46
    Out of Stock Item #: B1268624
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    Technical Identifiers
    IUPAC Name
    1-benzyl-4-(4-bromophenyl)-5-(3-imidazol-1-ylpropyl)-3-phenyl-4H-pyrrolo[3,4-c]pyrazol-6-one
    SMILES
    C1=CC=C(C=C1)CN2C3=C(C(N(C3=O)CCCN4C=CN=C4)C5=CC=C(C=C5)Br)C(=N2)C6=CC=CC=C6
    InChIKey
    HZXBRCFEDOCBBP-UHFFFAOYSA-N
    InChI
    1S/C30H26BrN5O/c31-25-14-12-24(13-15-25)28-26-27(23-10-5-2-6-11-23)33-36(20-22-8-3-1-4-9-22)29(26)30(37)35(28)18-7-17-34-19-16-32-21-34/h1-6,8-16,19,2show more
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