5-(2-Phenylethyl)-1H-pyrazole-3-carboxylic acid

CAS Registry Number®

595610-56-3
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CAS Name

5-(2-Phenylethyl)-1H-pyrazole-3-carboxylic acid

Molecular Formula

C12H12N2O2

Molecular Mass

216.24

Cite this Page

5-(2-Phenylethyl)-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=595610-56-3 (retrieved 2024-09-19) (CAS RN: 595610-56-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    210-212 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H12N2O2/c15-12(16)11-8-10(13-14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14)(H,15,16)

InChIKey

InChIKey=HHEBXMNODWRUEV-UHFFFAOYSA-N

SMILES

C(CC1=CC=CC=C1)C2=CC(C(O)=O)=NN2

Canonical SMILES

O=C(O)C1=NNC(=C1)CCC=2C=CC=CC2

Other Names for this Substance

  • 1H-Pyrazole-3-carboxylic acid, 5-(2-phenylethyl)-
  • 5-(2-Phenylethyl)-1H-pyrazole-3-carboxylic acid

Deleted or Replaced CAS Registry Numbers

1622855-10-0