2-benzyl-5-(cyclopropylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine

• ChemBase ID: 620990
• Molecular Formular: C17H21N3
• Molecular Mass: 267.36874
• Monoisotopic Mass: 267.17354769
• SMILES: n12c(cc(n1)Cc1ccccc1)CN(CC1CC1)CC2
• Canonical SMILES: c1ccc(cc1)Cc1nn2c(c1)CN(CC2)CC1CC1
• InChI: InChI=1S/C17H21N3/c1-2-4-14(5-3-1)10-16-11-17-13-19(12-15-6-7-15)8-9-20(17)18-16/h1-5,11,15H,6-10,12-13H2
• InChIKey: JQLCOMZUCLKSGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.3473514
• LogD (pH = 7.4): 2.1140854
• Log P: 2.837266
• Molar Refractivity: 92.668 cm^3
• Polarizability: 31.386518 Å^3
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.63
• LOG S: -2.39
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 4