1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-, ethyl ester

CAS Registry Number®

595610-40-5

CAS Name

1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-, ethyl ester

Molecular Formula

C12H11ClN2O2

Molecular Mass

250.68

Cite this Page

1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=595610-40-5 (retrieved 2024-11-21) (CAS RN: 595610-40-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    179-181 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H11ClN2O2/c1-2-17-12(16)11-7-10(14-15-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3,(H,14,15)

InChIKey

InChIKey=AAXKEDUSKXDFJA-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C=1C=C(NN1)C2=CC=C(Cl)C=C2

Canonical SMILES

O=C(OCC)C1=NNC(=C1)C=2C=CC(Cl)=CC2

Other Names for this Substance

  • 1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-, ethyl ester
  • Ethyl 5-(4-chlorophenyl)-1H-pyrazole-3-carboxylate
  • 5-(4-Chlorophenyl)-1H-pyrazole-3-carboxylic acid ethyl ester

Deleted or Replaced CAS Registry Numbers

938182-43-5, 1667751-41-8, 1714094-10-6, 1810738-97-6, 2235917-86-7, 2607791-14-8, 2761327-59-5

CAS INSIGHTSTM
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