2-(3,5-dimethyl-4-(phenyldiazenyl)-1H-pyrazol-1-yl)-N-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)acetamide | SBID = 528 | Compound | Custom Molecule

Molecular Properties

Interactions: 0
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C21H31N5O5
M / g/mol: 433.0
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, typical guest
  • Name: 2-(3,5-dimethyl-4-(phenyldiazenyl)-1H-pyrazol-1-yl)-N-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)acetamide
  • Preferred Abbreviation: AAP
  • IUPAC Name: (E)-2-(3,5-dimethyl-4-(phenyldiazenyl)-1H-pyrazol-1-yl)-N-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)acetamide
  • CAS:
  • CID: -108
  • InChiKey: JIBGPGKYAAXFKV-WCWDXBQESA-N
  • InChi: InChI=1S/C21H31N5O5/c1-17-21(24-23-19-6-4-3-5-7-19)18(2)26(25-17)16-20(28)22-8-10-29-12-14-31-15-13-30-11-9-27/h3-7,27H,8-16H2,1-2H3,(H,22,28)/b24-23+
  • CanoSmiles: O=C(CN1N=C(C(/N=N/C2=CC=CC=C2)=C1C)C)NCCOCCOCCOCCO
  • IsoSmiles: O=C(NCCOCCOCCOCCO)CN1N=C(C)C(/N=N/C2=CC=CC=C2)=C1C