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Home> Hot Product Listed 1   > 1-(3-Methoxyphenyl)-1H-pyrazol-3-amine
1802326-66-4 structure

1-(3-Methoxyphenyl)-1H-pyrazol-3-amine

Iupac Name:3-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CAS No.:1802326-66-4
Molecular Weight:316.785
Molecular Formula:C8H8N4 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChkey
MWDVCHRYCKXEBY-LBPRGKRZSA-N
Canonical Smiles
CC(C1=CC=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)Cl
Computational chemical data
  • Molecular Weight:316.785g/mol
  • Molecular Formula:C8H8N4
  • Compound Is Canonicalized:True
  • Exact Mass:316.098
  • Monoisotopic Mass:316.098
  • Complexity:383
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:58.2A^2
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgIQAAAADCrBmCQyAILAAACI AiFSEACCAAAkBQAIiIGIBsgIYDKBlzGUIQhglgCIiYcYiICOAAAAIAAAAAAAAABAAAAAAAAAAAAA AA==
 
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