5-Isopropyl-1H-pyrazole-3-carboxylic acid ethyl ester

CAS Registry Number®

78208-72-7
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CAS Name

5-Isopropyl-1H-pyrazole-3-carboxylic acid ethyl ester

Molecular Formula

C9H14N2O2

Molecular Mass

182.22

Cite this Page

5-Isopropyl-1H-pyrazole-3-carboxylic acid ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78208-72-7 (retrieved 2024-08-15) (CAS RN: 78208-72-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    61-63 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H14N2O2/c1-4-13-9(12)8-5-7(6(2)3)10-11-8/h5-6H,4H2,1-3H3,(H,10,11)

InChIKey

InChIKey=ILTUMWMASHHTOQ-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C=1C=C(C(C)C)NN1

Canonical SMILES

O=C(OCC)C1=NNC(=C1)C(C)C

Other Names for this Substance

  • 1H-Pyrazole-3-carboxylic acid, 5-(1-methylethyl)-, ethyl ester
  • 5-Isopropyl-1H-pyrazole-3-carboxylic acid ethyl ester
  • Ethyl 5-isopropyl-1H-pyrazole-3-carboxylate
  • Ethyl 3-isopropyl-1H-pyrazole-5-carboxylate
  • 3-Isopropyl-1H-pyrazole-5-carboxylic acid ethyl ester

Deleted or Replaced CAS Registry Numbers

133261-03-7, 888738-91-8