Cas no 1171028-49-1 (methyl 1-propyl-1H-pyrazole-3-carboxylate)

methyl 1-propyl-1H-pyrazole-3-carboxylate structure
1171028-49-1 structure
Product Name:methyl 1-propyl-1H-pyrazole-3-carboxylate
CAS No:1171028-49-1
MF:C8H12N2O2
MW:168.193081855774
MDL:MFCD09473400
CID:3158801
PubChem ID:25247474
Update Time:2025-04-21

methyl 1-propyl-1H-pyrazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 1-propyl-1H-pyrazole-3-carboxylate
    • AKOS005167673
    • STK351682
    • EN300-231327
    • MFCD09473400
    • 1171028-49-1
    • methyl1-propyl-1H-pyrazole-3-carboxylate
    • SCHEMBL25786633
    • WWB02849
    • methyl 1-propylpyrazole-3-carboxylate
    • MDL： MFCD09473400
    • Inchi： 1S/C8H12N2O2/c1-3-5-10-6-4-7(9-10)8(11)12-2/h4,6H,3,5H2,1-2H3
    • InChI Key： AEOXTUZAVMBILO-UHFFFAOYSA-N
    • SMILES： O(C)C(C1C=CN(CCC)N=1)=O

Computed Properties

  • Exact Mass: 168.089877630Da
  • Monoisotopic Mass: 168.089877630Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 161
  • 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: 1.2
  • Topological Polar Surface Area: 44.1?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 253.9±13.0 °C at 760 mmHg
  • Flash Point: 107.3±19.8 °C
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

methyl 1-propyl-1H-pyrazole-3-carboxylate Security Information

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