3-[1-(3-Amino-3-oxopropyl)-3-(3-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-2-propenoic acid

CAS Registry Number®

1006442-44-9

CAS Name

3-[1-(3-Amino-3-oxopropyl)-3-(3-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-2-propenoic acid

Molecular Formula

C16H13BrN4O3

Molecular Mass

389.20

Cite this Page

3-[1-(3-Amino-3-oxopropyl)-3-(3-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-2-propenoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1006442-44-9 (retrieved 2024-11-23) (CAS RN: 1006442-44-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H13BrN4O3/c17-13-3-1-2-10(7-13)15-12(6-11(8-18)16(23)24)9-21(20-15)5-4-14(19)22/h1-3,6-7,9H,4-5H2,(H2,19,22)(H,23,24)

InChIKey

InChIKey=QVKSNNDFNVQWID-UHFFFAOYSA-N

SMILES

C(=C(C(O)=O)C#N)C=1C(=NN(CCC(N)=O)C1)C2=CC(Br)=CC=C2

Canonical SMILES

N#CC(=CC1=CN(N=C1C=2C=CC=C(Br)C2)CCC(=O)N)C(=O)O

Other Names for this Substance

  • 2-Propenoic acid, 3-[1-(3-amino-3-oxopropyl)-3-(3-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-
  • 3-[1-(3-Amino-3-oxopropyl)-3-(3-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-2-propenoic acid

CAS INSIGHTSTM
Hourglass and a clock