N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

• ChemBase ID: 659960
• Molecular Formular: C19H27N3O
• Molecular Mass: 313.43718
• Monoisotopic Mass: 313.2154125
• SMILES: c1(c(n(nc1C)CC)C)CNC1Cc2c(ccc(c2)OC)CC1
• Canonical SMILES: COc1ccc2c(c1)CC(CC2)NCc1c(C)nn(c1C)CC
• InChI: InChI=1S/C19H27N3O/c1-5-22-14(3)19(13(2)21-22)12-20-17-8-6-15-7-9-18(23-4)11-16(15)10-17/h7,9,11,17,20H,5-6,8,10,12H2,1-4H3
• InChIKey: AYPBVRUZVZTASV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
• Synonyms: N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.12926339
• LogD (pH = 7.4): 0.9513593
• Log P: 3.0468814
• Molar Refractivity: 106.1108 cm^3
• Polarizability: 36.22698 Å^3
• Polar Surface Area: 39.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.05
• LOG S: -3.08
• Polar Surface Area: 39.08 Å^2
• Rotatable Bonds: 5