3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azetidine-1-carboxamide

• ChemBase ID: 590728
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: n1(C2CN(C(=O)Nc3c4c(ccc3)CCCC4)C2)nc(cc1C)C
• Canonical SMILES: O=C(N1CC(C1)n1nc(cc1C)C)Nc1cccc2c1CCCC2
• InChI: InChI=1S/C19H24N4O/c1-13-10-14(2)23(21-13)16-11-22(12-16)19(24)20-18-9-5-7-15-6-3-4-8-17(15)18/h5,7,9-10,16H,3-4,6,8,11-12H2,1-2H3,(H,20,24)
• InChIKey: VZSULFPGGYPZNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azetidine-1-carboxamide
• IUPAC Traditional name: 3-(3,5-dimethylpyrazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azetidine-1-carboxamide
• Synonyms: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azetidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.493353
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2230763
• LogD (pH = 7.4): 3.225737
• Log P: 3.2257714
• Molar Refractivity: 107.3081 cm^3
• Polarizability: 35.704205 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.18
• LOG S: -4.28
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 2