N,5-dimethyl-N-{[2-(pyrrolidin-1-ylmethyl)phenyl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 348168
• Molecular Formular: C21H29N5O
• Molecular Mass: 367.48786
• Monoisotopic Mass: 367.23721057
• SMILES: c1(nn2c(c1)CN(CC2)C)C(=O)N(Cc1c(CN2CCCC2)cccc1)C
• Canonical SMILES: CN1CCn2c(C1)cc(n2)C(=O)N(Cc1ccccc1CN1CCCC1)C
• InChI: InChI=1S/C21H29N5O/c1-23-11-12-26-19(16-23)13-20(22-26)21(27)24(2)14-17-7-3-4-8-18(17)15-25-9-5-6-10-25/h3-4,7-8,13H,5-6,9-12,14-16H2,1-2H3
• InChIKey: LFJJYZJRGWFUCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.8581764
• LogD (pH = 7.4): 0.196277
• Log P: 1.846489
• Molar Refractivity: 120.6087 cm^3
• Polarizability: 41.334976 Å^3
• Polar Surface Area: 44.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.68
• LOG S: -3.31
• Polar Surface Area: 44.61 Å^2
• Rotatable Bonds: 5