Cas no 400750-29-0 (Methyl 4-(1H-pyrazol-1-yl)benzoate)

Methyl 4-(1H-pyrazol-1-yl)benzoate structure
400750-29-0 structure
Product Name:Methyl 4-(1H-pyrazol-1-yl)benzoate
CAS No:400750-29-0
MF:C11H10N2O2
MW:202.209302425385
MDL:MFCD01821225
CID:822847
PubChem ID:972639
Update Time:2025-07-22

Methyl 4-(1H-pyrazol-1-yl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-(1H-pyrazol-1-yl)benzoate
    • Methyl 4-(1H-pyrazol-1-yl)benzenecarboxylate
    • methyl 4-(1-pyrazolyl)benzoate
    • AC1LJDVJ
    • CTK6J0022
    • methyl 4-pyrazolylbenzoate
    • methylpyrazolylbenzenecarboxylate
    • SureCN62700
    • Methyl 4-(pyrazol-1-yl)benzoate
    • 400750-29-0
    • Methyl4-(1H-pyrazol-1-yl)benzoate
    • AKOS002310329
    • Z66462847
    • AGOPDJQWCXROJG-UHFFFAOYSA-N
    • MFCD01821225
    • HMS1595N14
    • DTXSID90359574
    • EA-0702
    • DB-297968
    • methyl 4-pyrazol-1-ylbenzoate
    • SCHEMBL62700
    • MDL： MFCD01821225
    • Inchi： 1S/C11H10N2O2/c1-15-11(14)9-3-5-10(6-4-9)13-8-2-7-12-13/h2-8H,1H3
    • InChI Key： AGOPDJQWCXROJG-UHFFFAOYSA-N
    • SMILES： O(C)C(C1C=CC(=CC=1)N1C=CC=N1)=O

Computed Properties

  • Exact Mass: 202.074227566g/mol
  • Monoisotopic Mass: 202.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 225
  • 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: 44.1?2

Experimental Properties

  • Density: 1.18±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (1.3 g/l) (25 o C),

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