7-cyclopentyl-2-(3-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 863891
• Molecular Formular: C20H30N4O2
• Molecular Mass: 358.4778
• Monoisotopic Mass: 358.23687622
• SMILES: c1(C(=O)N2CC3(C(=O)N(C4CCCC4)CCC3)CC2)c(n[nH]c1)CCC
• Canonical SMILES: CCCc1n[nH]cc1C(=O)N1CCC2(C1)CCCN(C2=O)C1CCCC1
• InChI: InChI=1S/C20H30N4O2/c1-2-6-17-16(13-21-22-17)18(25)23-12-10-20(14-23)9-5-11-24(19(20)26)15-7-3-4-8-15/h13,15H,2-12,14H2,1H3,(H,21,22)
• InChIKey: VRRMZAUKQRGBHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclopentyl-2-(3-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclopentyl-2-(3-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclopentyl-2-[(3-propyl-1H-pyrazol-4-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.467642
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.158356
• LogD (pH = 7.4): 2.158469
• Log P: 2.1585078
• Molar Refractivity: 101.4627 cm^3
• Polarizability: 38.399147 Å^3
• Polar Surface Area: 69.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.04
• LOG S: -3.56
• Polar Surface Area: 69.3 Å^2
• Rotatable Bonds: 4