5-(1,1-Dimethylethyl) 1-phenyl-1H-pyrazole-3,5-dicarboxylate

CAS Registry Number®

1258649-71-6

CAS Name

5-(1,1-Dimethylethyl) 1-phenyl-1H-pyrazole-3,5-dicarboxylate

Molecular Formula

C15H16N2O4

Molecular Mass

288.30

Cite this Page

5-(1,1-Dimethylethyl) 1-phenyl-1H-pyrazole-3,5-dicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1258649-71-6 (retrieved 2024-10-07) (CAS RN: 1258649-71-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H16N2O4/c1-15(2,3)21-14(20)12-9-11(13(18)19)16-17(12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,18,19)

InChIKey

InChIKey=QREINCAOUANJDX-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)C=1N(N=C(C(O)=O)C1)C2=CC=CC=C2

Canonical SMILES

O=C(O)C1=NN(C=2C=CC=CC2)C(=C1)C(=O)OC(C)(C)C

Other Names for this Substance

  • 1H-Pyrazole-3,5-dicarboxylic acid, 1-phenyl-, 5-(1,1-dimethylethyl) ester
  • 5-(1,1-Dimethylethyl) 1-phenyl-1H-pyrazole-3,5-dicarboxylate

CAS INSIGHTSTM
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