Cas no 866837-98-1 (Ethyl 5-amino-1-(p-tolyl)-1H-pyrazole-3-carboxylate)

Ethyl 5-amino-1-(p-tolyl)-1H-pyrazole-3-carboxylate structure
866837-98-1 structure
Product Name:Ethyl 5-amino-1-(p-tolyl)-1H-pyrazole-3-carboxylate
CAS No:866837-98-1
MF:C13H15N3O2
MW:245.277102708817
MDL:MFCD07388409
CID:94859
PubChem ID:53302150
Update Time:2024-10-26

Ethyl 5-amino-1-(p-tolyl)-1H-pyrazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-amino-1-(p-tolyl)-1H-pyrazole-3-carboxylate
    • 5-AMINO-1-P-TOLYL-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
    • ethyl 5-amino-1-(4-methylphenyl)pyrazole-3-carboxylate
    • Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-3-carboxylate (ACI)
    • CCOC(=O)C1=NN(C(N)=C1)C1=CC=C(C)C=C1
    • SCHEMBL14357202
    • Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-3-carboxylate
    • MFCD07388409
    • AKOS015901722
    • DTXSID80693338
    • Ethyl5-amino-1-(p-tolyl)-1H-pyrazole-3-carboxylate
    • F17253
    • DB-076708
    • 866837-98-1
    • MDL： MFCD07388409
    • Inchi： 1S/C13H15N3O2/c1-3-18-13(17)11-8-12(14)16(15-11)10-6-4-9(2)5-7-10/h4-8H,3,14H2,1-2H3
    • InChI Key： SMMNCFKXOKJMBP-UHFFFAOYSA-N
    • SMILES： O=C(C1C=C(N)N(C2C=CC(C)=CC=2)N=1)OCC

Computed Properties

  • Exact Mass: 245.116426730g/mol
  • Monoisotopic Mass: 245.116426730g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 290
  • 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: 2.5
  • Topological Polar Surface Area: 70.1?2

Experimental Properties

  • Density: 1.23

Ethyl 5-amino-1-(p-tolyl)-1H-pyrazole-3-carboxylate Pricemore >>

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