(1-(Quinolin-5-Yl)-5-Cyclopropyl-1H-Pyrazole-4-Carbonyl)Guanidine

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Properties Simple | Detailed

Formula C17H16N6O
IUPAC Name 5-cyclopropyl-n-(diaminomethylene)-1-(5-quinolyl)pyrazol-1-ium-2-ide-4-carboxamide
Molecular Mass 320.349 g·mol−1
Heat of Formation 367.3 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 373.5 Å 3
Surface Area 323.76 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 5-cyclopropyl-n-(diaminomethylene)-1-(5-quinolyl)-4-pyrazolecarboxamide
  • 5-cyclopropyl-n-(diaminomethylene)-1-(5-quinolyl)pyrazole-4-carboxamide
  • 5-cyclopropyl-n-(diaminomethylidene)-1-quinolin-5-yl-pyrazole-4-carboxamide
  • 5-cyclopropyl-n-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide
  • n-carbamimidoyl-5-cyclopropyl-1-(quinolin-5-yl)-1h-pyrazole-4-carboxamide
CAS Number(s)
  • 241800-98-6
InChIKey GDXBRVCQGGKXJY-UHFFFAOYSA-N
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