3-(1,3-Benzodioxol-5-yl)-1-phenyl-1H-pyrazole-4-carboxaldehyde

CAS Registry Number®

1004451-69-7
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CAS Name

3-(1,3-Benzodioxol-5-yl)-1-phenyl-1H-pyrazole-4-carboxaldehyde

Molecular Formula

C17H12N2O3

Molecular Mass

292.29

Cite this Page

3-(1,3-Benzodioxol-5-yl)-1-phenyl-1H-pyrazole-4-carboxaldehyde.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1004451-69-7 (retrieved 2024-09-09) (CAS RN: 1004451-69-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    167-169 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C17H12N2O3/c20-10-13-9-19(14-4-2-1-3-5-14)18-17(13)12-6-7-15-16(8-12)22-11-21-15/h1-10H,11H2

InChIKey

InChIKey=IVFWJLCVAHTFCT-UHFFFAOYSA-N

SMILES

C(=O)C=1C(=NN(C1)C2=CC=CC=C2)C=3C=C4C(=CC3)OCO4

Canonical SMILES

O=CC1=CN(N=C1C=2C=CC=3OCOC3C2)C=4C=CC=CC4

Other Names for this Substance

  • 1H-Pyrazole-4-carboxaldehyde, 3-(1,3-benzodioxol-5-yl)-1-phenyl-
  • 3-(1,3-Benzodioxol-5-yl)-1-phenyl-1H-pyrazole-4-carboxaldehyde
  • 3-(1,3-Benzodioxol-5-yl)-1-phenylpyrazole-4-carbaldehyde
  • 3-(1,3-Dioxaindan-5-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
  • 3-(1,3-Benzodioxol-5-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde