N-cyclopropyl-5-{[5-(2-methylpropyl)-1H-pyrazol-3-yl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 724591
• Molecular Formular: C18H26N6O
• Molecular Mass: 342.43864
• Monoisotopic Mass: 342.21680948
• SMILES: c1(nn2c(c1)CN(Cc1n[nH]c(c1)CC(C)C)CC2)C(=O)NC1CC1
• Canonical SMILES: CC(Cc1[nH]nc(c1)CN1CCn2c(C1)cc(n2)C(=O)NC1CC1)C
• InChI: InChI=1S/C18H26N6O/c1-12(2)7-14-8-15(21-20-14)10-23-5-6-24-16(11-23)9-17(22-24)18(25)19-13-3-4-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,19,25)(H,20,21)
• InChIKey: ADTYYKXUDYDPBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-{[5-(2-methylpropyl)-1H-pyrazol-3-yl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-{[5-(2-methylpropyl)-1H-pyrazol-3-yl]methyl}-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-cyclopropyl-5-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.950258
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5503659
• LogD (pH = 7.4): 1.5801176
• Log P: 1.5805105
• Molar Refractivity: 108.828 cm^3
• Polarizability: 36.555058 Å^3
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.48
• LOG S: -2.96
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 6