Cas no 1177350-90-1 (1-(3-Methoxyphenyl)-1H-pyrazole-4-carboxylic acid)

1-(3-Methoxyphenyl)-1H-pyrazole-4-carboxylic acid is a heterocyclic carboxylic acid derivative featuring a pyrazole core substituted with a 3-methoxyphenyl group at the 1-position and a carboxylic acid functionality at the 4-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. Its structural motifs, including the electron-rich methoxy group and the reactive carboxyl group, enable further derivatization through coupling, esterification, or amidation reactions. The compound’s stability and well-defined reactivity profile make it suitable for applications in medicinal chemistry, where it can be used to design bioactive molecules or as a scaffold for drug discovery.
1-(3-Methoxyphenyl)-1H-pyrazole-4-carboxylic acid structure
1177350-90-1 structure
Product Name:1-(3-Methoxyphenyl)-1H-pyrazole-4-carboxylic acid
CAS No:1177350-90-1
MF:C11H10N2O3
MW:218.20870256424
CID:1067390
Update Time:2025-06-07

1-(3-Methoxyphenyl)-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(3-Methoxyphenyl)-1H-pyrazole-4-carboxylic acid
    • Inchi: 1S/C11H10N2O3/c1-16-10-4-2-3-9(5-10)13-7-8(6-12-13)11(14)15/h2-7H,1H3,(H,14,15)
    • InChI Key: LPLVTYKZVAPTED-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC=CC(=C1)N1C=C(C(=O)O)C=N1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3

1-(3-Methoxyphenyl)-1H-pyrazole-4-carboxylic acid Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

1-(3-Methoxyphenyl)-1H-pyrazole-4-carboxylic acid Pricemore >>

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