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

• ChemBase ID: 634648
• Molecular Formular: C19H20ClF2N5
• Molecular Mass: 391.8454064
• Monoisotopic Mass: 391.13752979
• SMILES: n1(c2c(cn1)C(NCc1c(n(nc1C)C)Cl)CCC2)c1cc(cc(c1)F)F
• Canonical SMILES: Fc1cc(F)cc(c1)n1ncc2c1CCCC2NCc1c(C)nn(c1Cl)C
• InChI: InChI=1S/C19H20ClF2N5/c1-11-15(19(20)26(2)25-11)9-23-17-4-3-5-18-16(17)10-24-27(18)14-7-12(21)6-13(22)8-14/h6-8,10,17,23H,3-5,9H2,1-2H3
• InChIKey: LUDPDKDUGOFEJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine
• Synonyms: N-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1112516
• LogD (pH = 7.4): 2.795457
• Log P: 3.2584622
• Molar Refractivity: 113.2272 cm^3
• Polarizability: 38.53414 Å^3
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.28
• LOG S: -5.65
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 4