Methyl 5-(1,3-benzodioxol-5-yl)-1H-pyrazole-3-carboxylate

CAS Registry Number®

1029104-54-8
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CAS Name

Methyl 5-(1,3-benzodioxol-5-yl)-1H-pyrazole-3-carboxylate

Molecular Formula

C12H10N2O4

Molecular Mass

246.22

Cite this Page

Methyl 5-(1,3-benzodioxol-5-yl)-1H-pyrazole-3-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1029104-54-8 (retrieved 2024-08-20) (CAS RN: 1029104-54-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H10N2O4/c1-16-12(15)9-5-8(13-14-9)7-2-3-10-11(4-7)18-6-17-10/h2-5H,6H2,1H3,(H,13,14)

InChIKey

InChIKey=TXRHHGNWAVUALM-UHFFFAOYSA-N

SMILES

C(OC)(=O)C=1C=C(C=2C=C3C(=CC2)OCO3)NN1

Canonical SMILES

O=C(OC)C1=NNC(=C1)C=2C=CC=3OCOC3C2

Other Names for this Substance

  • 1H-Pyrazole-3-carboxylic acid, 5-(1,3-benzodioxol-5-yl)-, methyl ester
  • Methyl 5-(1,3-benzodioxol-5-yl)-1H-pyrazole-3-carboxylate