Cas no 618101-67-0 (1-(4-Methoxyphenyl)-3-(3-nitrophenyl)-1H-pyrazole-4-carbaldehyde)

1-(4-Methoxyphenyl)-3-(3-nitrophenyl)-1H-pyrazole-4-carbaldehyde structure
618101-67-0 structure
Product Name:1-(4-Methoxyphenyl)-3-(3-nitrophenyl)-1H-pyrazole-4-carbaldehyde
CAS No:618101-67-0
MF:C17H13N3O4
MW:323.302823781967
CID:955386
Update Time:2023-08-02

1-(4-Methoxyphenyl)-3-(3-nitrophenyl)-1H-pyrazole-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1-(4-METHOXYPHENYL)-3-(3-NITROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
    • 1-(4-Methoxyphenyl)-3-(3-nitrophenyl)-1H-pyrazole-4-carbaldehyde
    • Inchi: 1S/C17H13N3O4/c1-24-16-7-5-14(6-8-16)19-10-13(11-21)17(18-19)12-3-2-4-15(9-12)20(22)23/h2-11H,1H3
    • InChI Key: LOXGWKKHAZIINJ-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC(=CC=1)N1C=C(C=O)C(C2C=CC=C(C=2)[N+](=O)[O-])=N1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 448
  • Topological Polar Surface Area: 89.9
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