1-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazole

• ChemBase ID: 433392
• Molecular Formular: C19H19N7
• Molecular Mass: 345.40106
• Monoisotopic Mass: 345.17019364
• SMILES: c1(nn2c(c1)CNCC2)c1n(ccn1)Cc1ccc(n2nccc2)cc1
• Canonical SMILES: N1CCn2c(C1)cc(n2)c1nccn1Cc1ccc(cc1)n1cccn1
• InChI: InChI=1S/C19H19N7/c1-6-22-25(9-1)16-4-2-15(3-5-16)14-24-10-8-21-19(24)18-12-17-13-20-7-11-26(17)23-18/h1-6,8-10,12,20H,7,11,13-14H2
• InChIKey: HYQLWUPIKOJDMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.34107894
• LogD (pH = 7.4): 1.465903
• Log P: 2.034049
• Molar Refractivity: 121.6733 cm^3
• Polarizability: 38.90519 Å^3
• Polar Surface Area: 65.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.07
• LOG S: -2.08
• Polar Surface Area: 65.49 Å^2
• Rotatable Bonds: 4