4-[(4-methyl-1H-pyrazol-1-yl)methyl]-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}piperidine

• ChemBase ID: 754227
• Molecular Formular: C17H26N6
• Molecular Mass: 314.42854
• Monoisotopic Mass: 314.22189486
• SMILES: n1n2c(cc1CN1CCC(Cn3ncc(c3)C)CC1)CNCC2
• Canonical SMILES: Cc1cnn(c1)CC1CCN(CC1)Cc1nn2c(c1)CNCC2
• InChI: InChI=1S/C17H26N6/c1-14-9-19-22(11-14)12-15-2-5-21(6-3-15)13-16-8-17-10-18-4-7-23(17)20-16/h8-9,11,15,18H,2-7,10,12-13H2,1H3
• InChIKey: DLMCRWVURCQNCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(4-methyl-1H-pyrazol-1-yl)methyl]-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}piperidine
• IUPAC Traditional name: 4-[(4-methylpyrazol-1-yl)methyl]-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}piperidine
• Synonyms: 2-({4-[(4-methyl-1H-pyrazol-1-yl)methyl]-1-piperidinyl}methyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.019852
• LogD (pH = 7.4): 0.21738759
• Log P: 0.9425642
• Molar Refractivity: 114.422 cm^3
• Polarizability: 35.145985 Å^3
• Polar Surface Area: 50.91 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: 0.02
• LOG S: -1.81
• Polar Surface Area: 50.91 Å^2
• Rotatable Bonds: 4