(3R,5R)-7-{1-(4-Fluorophenyl)-4-Isopropyl-3-[(4-Methylbenzyl)Carbamoyl]-1H-Pyrazol-5-Yl}-3,5-Dihydroxyheptanoic Acid

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Formula C28H34FN3O5
IUPAC Name (3r,5r)-7-[2-(4-fluorophenyl)-4-isopropyl-5-(p-tolylmethylcarbamoyl)pyrazol-3-yl]-3,5-dihydroxy-heptanoic acid
Molecular Mass 511.585 g·mol−1
Heat of Formation -965.4 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 625.61 Å 3
Surface Area 526.8 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r)-7-[2-(4-fluorophenyl)-4-isopropyl-5-[(4-methylbenzyl)carbamoyl]pyrazol-3-yl]-3,5-dihydroxy-enanthic acid
  • (3r,5r)-7-[2-(4-fluorophenyl)-4-isopropyl-5-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3,5-dihydroxy-heptanoic acid
  • (3r,5r)-7-[2-(4-fluorophenyl)-4-isopropyl-5-[[(4-methylphenyl)methylamino]-oxomethyl]-3-pyrazolyl]-3,5-dihydroxyheptanoic acid
  • (3r,5r)-7-[2-(4-fluorophenyl)-5-[(4-methylphenyl)methylcarbamoyl]-4-propan-2-yl-pyrazol-3-yl]-3,5-dihydroxy-heptanoic acid
InChIKey LRVVTOGAGAXSRZ-DHIUTWEWSA-N
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