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

• ChemBase ID: 739773
• Molecular Formular: C19H22N6O
• Molecular Mass: 350.41758
• Monoisotopic Mass: 350.18550935
• SMILES: c1(nn2c(c1)CN(CC2)C)C(=O)NC(c1c(n2nccc2)cccc1)C
• Canonical SMILES: CN1CCn2c(C1)cc(n2)C(=O)NC(c1ccccc1n1cccn1)C
• InChI: InChI=1S/C19H22N6O/c1-14(16-6-3-4-7-18(16)25-9-5-8-20-25)21-19(26)17-12-15-13-23(2)10-11-24(15)22-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,26)
• InChIKey: LUTMUQJYNXKYNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.118162
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2896988
• LogD (pH = 7.4): 1.7667893
• Log P: 1.7780122
• Molar Refractivity: 112.4088 cm^3
• Polarizability: 38.40882 Å^3
• Polar Surface Area: 67.98 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: 1.71
• LOG S: -3.21
• Polar Surface Area: 67.98 Å^2
• Rotatable Bonds: 4