N-(2-methylpropyl)-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 543780
• Molecular Formular: C16H22N4
• Molecular Mass: 270.37268
• Monoisotopic Mass: 270.18444672
• SMILES: n1(c2c(cn1)C(NCC(C)C)CCC2)c1ncccc1
• Canonical SMILES: CC(CNC1CCCc2c1cnn2c1ccccn1)C
• InChI: InChI=1S/C16H22N4/c1-12(2)10-18-14-6-5-7-15-13(14)11-19-20(15)16-8-3-4-9-17-16/h3-4,8-9,11-12,14,18H,5-7,10H2,1-2H3
• InChIKey: SVNJDGKTPVHSHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylpropyl)-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: N-(2-methylpropyl)-1-(pyridin-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
• Synonyms: N-isobutyl-1-(2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.20153801
• LogD (pH = 7.4): 0.76932967
• Log P: 2.991388
• Molar Refractivity: 81.7818 cm^3
• Polarizability: 31.293745 Å^3
• Polar Surface Area: 42.74 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: 3.08
• LOG S: -3.35
• Polar Surface Area: 42.74 Å^2
• Rotatable Bonds: 3