Methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate

CAS Registry Number®

1004194-68-6
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CAS Name

Methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate

Molecular Formula

C12H13N3O2

Molecular Mass

231.25

Cite this Page

Methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1004194-68-6 (retrieved 2024-08-28) (CAS RN: 1004194-68-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H13N3O2/c1-17-12(16)11-5-3-2-4-9(11)7-15-8-10(13)6-14-15/h2-6,8H,7,13H2,1H3

InChIKey

InChIKey=QSFZLYUDTYBWMC-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=C(CN2C=C(N)C=N2)C=CC=C1

Canonical SMILES

O=C(OC)C=1C=CC=CC1CN2N=CC(N)=C2

Other Names for this Substance

  • Benzoic acid, 2-[(4-amino-1H-pyrazol-1-yl)methyl]-, methyl ester
  • Methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate