4-[1-[(2S)-2-Aminopropyl]-1H-pyrazol-3-yl]-2-chlorobenzonitrile

CAS Registry Number®

1297537-41-7
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CAS Name

4-[1-[(2S)-2-Aminopropyl]-1H-pyrazol-3-yl]-2-chlorobenzonitrile

Molecular Formula

C13H13ClN4

Molecular Mass

260.72

Cite this Page

4-[1-[(2S)-2-Aminopropyl]-1H-pyrazol-3-yl]-2-chlorobenzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1297537-41-7 (retrieved 2024-09-09) (CAS RN: 1297537-41-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H13ClN4/c1-9(16)8-18-5-4-13(17-18)10-2-3-11(7-15)12(14)6-10/h2-6,9H,8,16H2,1H3/t9-/m0/s1

InChIKey

InChIKey=MQWGPHFTKXGETE-VIFPVBQESA-N

SMILES

C([C@H](C)N)N1N=C(C=C1)C2=CC(Cl)=C(C#N)C=C2

Canonical SMILES

N#CC=1C=CC(=CC1Cl)C2=NN(C=C2)CC(N)C

Other Names for this Substance

  • Benzonitrile, 4-[1-[(2S)-2-aminopropyl]-1H-pyrazol-3-yl]-2-chloro-
  • 4-[1-[(2S)-2-Aminopropyl]-1H-pyrazol-3-yl]-2-chlorobenzonitrile
  • (S)-4-[1-(2-Aminopropyl)-1H-pyrazol-3-yl]-2-chlorobenzonitrile