5-[(2E)-hex-2-en-1-yl]-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 759172
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: c1(nn2c(c1)CN(CC2)C/C=C/CCC)C(=O)NCc1ncccc1
• Canonical SMILES: CCC/C=C/CN1CCn2c(C1)cc(n2)C(=O)NCc1ccccn1
• InChI: InChI=1S/C19H25N5O/c1-2-3-4-7-10-23-11-12-24-17(15-23)13-18(22-24)19(25)21-14-16-8-5-6-9-20-16/h4-9,13H,2-3,10-12,14-15H2,1H3,(H,21,25)/b7-4+
• InChIKey: RQLCVLOCSIRTEI-QPJJXVBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(2E)-hex-2-en-1-yl]-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-[(2E)-hex-2-en-1-yl]-N-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-[(2E)-hex-2-en-1-yl]-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.902652
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7727515
• LogD (pH = 7.4): 2.139326
• Log P: 2.1464403
• Molar Refractivity: 110.9874 cm^3
• Polarizability: 37.5589 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.21
• LOG S: -2.26
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 7