N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-6,6-dimethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 735012
• Molecular Formular: C23H31N5
• Molecular Mass: 377.52574
• Monoisotopic Mass: 377.25794602
• SMILES: n1(c2c(cn1)C(NCc1c(nn(c1)CC)C)CC(C2)(C)C)c1c(C)cccc1
• Canonical SMILES: CCn1nc(c(c1)CNC1CC(C)(C)Cc2c1cnn2c1ccccc1C)C
• InChI: InChI=1S/C23H31N5/c1-6-27-15-18(17(3)26-27)13-24-20-11-23(4,5)12-22-19(20)14-25-28(22)21-10-8-7-9-16(21)2/h7-10,14-15,20,24H,6,11-13H2,1-5H3
• InChIKey: IYZUFGKOIIEVFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-6,6-dimethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-amine
• Synonyms: N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-6,6-dimethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3931623
• LogD (pH = 7.4): 3.098052
• Log P: 4.1112986
• Molar Refractivity: 126.802 cm^3
• Polarizability: 44.56891 Å^3
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.87
• LOG S: -5.63
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 4