N-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-ylmethyl}-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide

• ChemBase ID: 844098
• Molecular Formular: C14H19N5O2
• Molecular Mass: 289.33296
• Monoisotopic Mass: 289.15387487
• SMILES: c1(nnc(o1)CCC)C(=O)N(Cc1n[nH]c2c1CCC2)C
• Canonical SMILES: CCCc1nnc(o1)C(=O)N(Cc1n[nH]c2c1CCC2)C
• InChI: InChI=1S/C14H19N5O2/c1-3-5-12-17-18-13(21-12)14(20)19(2)8-11-9-6-4-7-10(9)15-16-11/h3-8H2,1-2H3,(H,15,16)
• InChIKey: GNRCXJNILJPCQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-ylmethyl}-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
• IUPAC Traditional name: N-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-ylmethyl}-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
• Synonyms: N-methyl-5-propyl-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.415898
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7801888
• LogD (pH = 7.4): 0.7802989
• Log P: 0.7803003
• Molar Refractivity: 79.6917 cm^3
• Polarizability: 28.537962 Å^3
• Polar Surface Area: 87.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.23
• LOG S: -2.35
• Polar Surface Area: 87.91 Å^2
• Rotatable Bonds: 5