4-Bromo-5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid

CAS Registry Number®

222729-57-9
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CAS Name

4-Bromo-5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid

Molecular Formula

C8H11BrN2O2

Molecular Mass

247.09

Cite this Page

4-Bromo-5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=222729-57-9 (retrieved 2024-09-07) (CAS RN: 222729-57-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H11BrN2O2/c1-4(2)3-5-6(9)7(8(12)13)11-10-5/h4H,3H2,1-2H3,(H,10,11)(H,12,13)

InChIKey

InChIKey=MKXAFJVHUHMBSO-UHFFFAOYSA-N

SMILES

C(C(C)C)C1=C(Br)C(C(O)=O)=NN1

Canonical SMILES

O=C(O)C1=NNC(=C1Br)CC(C)C

Other Names for this Substance

  • 1H-Pyrazole-3-carboxylic acid, 4-bromo-5-(2-methylpropyl)-
  • 4-Bromo-5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid