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

• ChemBase ID: 775362
• Molecular Formular: C15H22N6
• Molecular Mass: 286.37538
• Monoisotopic Mass: 286.19059473
• SMILES: n1n2c(cc1CN(Cc1n[nH]c3c1CCC3)C)CNCC2
• Canonical SMILES: CN(Cc1n[nH]c2c1CCC2)Cc1nn2c(c1)CNCC2
• InChI: InChI=1S/C15H22N6/c1-20(10-15-13-3-2-4-14(13)17-18-15)9-11-7-12-8-16-5-6-21(12)19-11/h7,16H,2-6,8-10H2,1H3,(H,17,18)
• InChIKey: XAQDSAFZVHNWGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.417598
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.7856287
• LogD (pH = 7.4): 0.18015371
• Log P: 0.61270773
• Molar Refractivity: 94.8289 cm^3
• Polarizability: 31.461042 Å^3
• Polar Surface Area: 61.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.16
• LOG S: -1.73
• Polar Surface Area: 61.77 Å^2
• Rotatable Bonds: 4