1-cyclopentyl-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazole

• ChemBase ID: 826987
• Molecular Formular: C14H19N5
• Molecular Mass: 257.33416
• Monoisotopic Mass: 257.16404563
• SMILES: c1(c2n(ccn2)C2CCCC2)nn2c(c1)CNCC2
• Canonical SMILES: C1CCC(C1)n1ccnc1c1nn2c(c1)CNCC2
• InChI: InChI=1S/C14H19N5/c1-2-4-11(3-1)18-7-6-16-14(18)13-9-12-10-15-5-8-19(12)17-13/h6-7,9,11,15H,1-5,8,10H2
• InChIKey: BXBJQIMJUANDNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazole
• IUPAC Traditional name: 1-cyclopentyl-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}imidazole
• Synonyms: 2-(1-cyclopentyl-1H-imidazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7984705
• LogD (pH = 7.4): 1.0102749
• Log P: 1.5784594
• Molar Refractivity: 95.1122 cm^3
• Polarizability: 28.863823 Å^3
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.11
• LOG S: -1.29
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 2