Cas no 17607-80-6 (1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic Acid)

1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic acid is a pyrazole derivative with significant utility in organic synthesis and pharmaceutical research. Its structure features a benzyl group at the 1-position and a carboxylic acid moiety at the 3-position, making it a versatile intermediate for constructing more complex heterocyclic compounds. The compound's stability and reactivity under controlled conditions allow for selective functionalization, enabling applications in medicinal chemistry, particularly in the development of bioactive molecules. Its well-defined molecular framework ensures reproducibility in synthetic pathways, while the carboxylic acid group facilitates further derivatization via esterification, amidation, or other coupling reactions. This compound is particularly valuable for researchers exploring novel pyrazole-based scaffolds.
1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic Acid structure
17607-80-6 structure
Product Name:1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic Acid
CAS No:17607-80-6
MF:C12H12N2O2
MW:216.235882759094
MDL:MFCD01331300
CID:135066
PubChem ID:10376003
Update Time:2025-05-28

1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3-carboxylicacid, 5-methyl-1-(phenylmethyl)-
    • 1-benzyl-5-methylpyrazole-3-carboxylic acid
    • 5-methyl-1-(phenylmethyl)-1H-Pyrazole-3-carboxylic acid
    • 1-Benzyl-5-methyl-1H-pyrazol-3-carbonsaeure
    • 1-benzyl-5-methyl-1h-pyrazole-3-carboxylate
    • 1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic acid
    • 3-Carboxy-1-benzyl-5-methyl-pyrazol
    • 5-methyl-1-benzyl-1H-pyrazole-3-carboxylic acid
    • AG-E-26478
    • CTK0H3604
    • I14-35822
    • KB-218138
    • SureCN1137143
    • 1H-Pyrazole-3-carboxylic acid, 5-methyl-1-(phenylmethyl)-
    • 1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic acid, AldrichCPR
    • FS-2078
    • AKOS015912402
    • MFCD01331300
    • 17607-80-6
    • DTXSID60438921
    • SCHEMBL1137143
    • FT-0736126
    • AIYMHQTUFQNZMJ-UHFFFAOYSA-N
    • AMY33116
    • 1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic Acid
    • MDL： MFCD01331300
    • Inchi： 1S/C12H12N2O2/c1-9-7-11(12(15)16)13-14(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)
    • InChI Key： AIYMHQTUFQNZMJ-UHFFFAOYSA-N
    • SMILES： OC(C1C=C(C)N(CC2C=CC=CC=2)N=1)=O

Computed Properties

  • Exact Mass: 216.08996
  • Monoisotopic Mass: 216.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 251
  • 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: 2.1
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • PSA: 55.12

1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic Acid Security Information

1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic Acid Pricemore >>

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abcr
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1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic acid; .
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Chemenu
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