N-cyclopropyl-3-(piperidine-1-carbonyl)-1-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine

• ChemBase ID: 850132
• Molecular Formular: C19H30N4O
• Molecular Mass: 330.4677
• Monoisotopic Mass: 330.2419616
• SMILES: c1(c2c(n(n1)CCC)CCC(C2)NC1CC1)C(=O)N1CCCCC1
• Canonical SMILES: CCCn1nc(c2c1CCC(C2)NC1CC1)C(=O)N1CCCCC1
• InChI: InChI=1S/C19H30N4O/c1-2-10-23-17-9-8-15(20-14-6-7-14)13-16(17)18(21-23)19(24)22-11-4-3-5-12-22/h14-15,20H,2-13H2,1H3
• InChIKey: TYMVFBNEEYBUMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-(piperidine-1-carbonyl)-1-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
• IUPAC Traditional name: N-cyclopropyl-3-(piperidine-1-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-amine
• Synonyms: N-cyclopropyl-3-(1-piperidinylcarbonyl)-1-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 0.44636425
• Log P: 2.4355376
• Molar Refractivity: 107.7023 cm^3
• Polarizability: 36.70423 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7219766

供应商提供(Chembridge)

• Log P: 1.25
• LOG S: -4.41
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 3
• H Acceptors: 4
• H Donor: 1