N-benzyl-5-(cyclopentylamino)-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 770184
• Molecular Formular: C22H30N4O
• Molecular Mass: 366.4998
• Monoisotopic Mass: 366.2419616
• SMILES: c1(c2c(n(n1)C)CCC(C2)NC1CCCC1)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nn(c2c1CC(CC2)NC1CCCC1)C)Cc1ccccc1
• InChI: InChI=1S/C22H30N4O/c1-25(15-16-8-4-3-5-9-16)22(27)21-19-14-18(23-17-10-6-7-11-17)12-13-20(19)26(2)24-21/h3-5,8-9,17-18,23H,6-7,10-15H2,1-2H3
• InChIKey: NPALFWRAHXHXQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-5-(cyclopentylamino)-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: N-benzyl-5-(cyclopentylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: N-benzyl-5-(cyclopentylamino)-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.099907085
• LogD (pH = 7.4): 0.79422516
• Log P: 3.3194516
• Molar Refractivity: 120.1023 cm^3
• Polarizability: 41.500923 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.31
• LOG S: -4.54
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5