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

CAS Registry Number®

61453-49-4

CAS Name

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

Molecular Formula

C7H10N2O3

Molecular Mass

170.17

Cite this Page

1H-Pyrazole-3-carboxylic acid, 4-(hydroxymethyl)-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=61453-49-4 (retrieved 2024-10-06) (CAS RN: 61453-49-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    118-119 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C7H10N2O3/c1-2-12-7(11)6-5(4-10)3-8-9-6/h3,10H,2,4H2,1H3,(H,8,9)

InChIKey

InChIKey=KVCPVHZCXJRNIZ-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C=1C(CO)=CNN1

Canonical SMILES

O=C(OCC)C1=NNC=C1CO

Other Names for this Substance

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

Deleted or Replaced CAS Registry Numbers

57093-14-8

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox