5-benzyl-N-(piperidin-4-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 713083
• Molecular Formular: C20H27N5O
• Molecular Mass: 353.46128
• Monoisotopic Mass: 353.22156051
• SMILES: c1(nn2c(c1)CN(CC2)Cc1ccccc1)C(=O)NCC1CCNCC1
• Canonical SMILES: O=C(c1nn2c(c1)CN(CC2)Cc1ccccc1)NCC1CCNCC1
• InChI: InChI=1S/C20H27N5O/c26-20(22-13-16-6-8-21-9-7-16)19-12-18-15-24(10-11-25(18)23-19)14-17-4-2-1-3-5-17/h1-5,12,16,21H,6-11,13-15H2,(H,22,26)
• InChIKey: RHSAWJZGSPTVHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzyl-N-(piperidin-4-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-benzyl-N-(piperidin-4-ylmethyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-benzyl-N-(piperidin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.059591
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.4057674
• LogD (pH = 7.4): -1.1879966
• Log P: 1.3799776
• Molar Refractivity: 114.6027 cm^3
• Polarizability: 39.49764 Å^3
• Polar Surface Area: 62.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.13
• LOG S: -3.2
• Polar Surface Area: 62.19 Å^2
• Rotatable Bonds: 5