N-(1-{5-benzyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}pyrrolidin-3-yl)acetamide

• ChemBase ID: 768795
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: c1(nn2c(c1)CN(CC2)Cc1ccccc1)C(=O)N1CC(NC(=O)C)CC1
• Canonical SMILES: CC(=O)NC1CCN(C1)C(=O)c1nn2c(c1)CN(CC2)Cc1ccccc1
• InChI: InChI=1S/C20H25N5O2/c1-15(26)21-17-7-8-24(13-17)20(27)19-11-18-14-23(9-10-25(18)22-19)12-16-5-3-2-4-6-16/h2-6,11,17H,7-10,12-14H2,1H3,(H,21,26)
• InChIKey: KREPIGKTJSEGSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{5-benzyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}pyrrolidin-3-yl)acetamide
• IUPAC Traditional name: N-(1-{5-benzyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}pyrrolidin-3-yl)acetamide
• Synonyms: N-{1-[(5-benzyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)carbonyl]pyrrolidin-3-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.134593
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.09445299
• LogD (pH = 7.4): 0.4550277
• Log P: 0.46935934
• Molar Refractivity: 114.4852 cm^3
• Polarizability: 39.190067 Å^3
• Polar Surface Area: 70.47 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: -1.94
• LOG S: -1.53
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 4