methyl[3-(1-methyl-1H-pyrazol-4-yl)propyl]{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}amine

• ChemBase ID: 664170
• Molecular Formular: C15H24N6
• Molecular Mass: 288.39126
• Monoisotopic Mass: 288.2062448
• SMILES: n1n2c(cc1CN(CCCc1cn(nc1)C)C)CNCC2
• Canonical SMILES: CN(Cc1nn2c(c1)CNCC2)CCCc1cnn(c1)C
• InChI: InChI=1S/C15H24N6/c1-19(6-3-4-13-9-17-20(2)11-13)12-14-8-15-10-16-5-7-21(15)18-14/h8-9,11,16H,3-7,10,12H2,1-2H3
• InChIKey: SGXTXJLEUKARNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[3-(1-methyl-1H-pyrazol-4-yl)propyl]{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}amine
• IUPAC Traditional name: methyl[3-(1-methylpyrazol-4-yl)propyl]{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}amine
• Synonyms: N-methyl-3-(1-methyl-1H-pyrazol-4-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-propanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.5682347
• LogD (pH = 7.4): -0.24981783
• Log P: 0.6163626
• Molar Refractivity: 107.0104 cm^3
• Polarizability: 32.19067 Å^3
• Polar Surface Area: 50.91 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.31
• LOG S: -1.34
• Polar Surface Area: 50.91 Å^2
• Rotatable Bonds: 6