5-methyl-N-{[1-(phenoxymethyl)cyclopropyl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 833148
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: c1(nn2c(c1)CN(CC2)C)C(=O)NCC1(CC1)COc1ccccc1
• Canonical SMILES: CN1CCn2c(C1)cc(n2)C(=O)NCC1(CC1)COc1ccccc1
• InChI: InChI=1S/C19H24N4O2/c1-22-9-10-23-15(12-22)11-17(21-23)18(24)20-13-19(7-8-19)14-25-16-5-3-2-4-6-16/h2-6,11H,7-10,12-14H2,1H3,(H,20,24)
• InChIKey: HELISPUGKIXJGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-{[1-(phenoxymethyl)cyclopropyl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-methyl-N-{[1-(phenoxymethyl)cyclopropyl]methyl}-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-methyl-N-{[1-(phenoxymethyl)cyclopropyl]methyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.054646
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2747324
• LogD (pH = 7.4): 1.7518777
• Log P: 1.7631041
• Molar Refractivity: 107.3904 cm^3
• Polarizability: 36.81296 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.19
• LOG S: -3.55
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6