N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-1,5-dimethyl-1H-pyrazole-3-carboxamide

• ChemBase ID: 495583
• Molecular Formular: C19H19F2N5O
• Molecular Mass: 371.3838664
• Monoisotopic Mass: 371.15576669
• SMILES: n1(c2c(cn1)C(NC(=O)c1nn(c(c1)C)C)CCC2)c1cc(cc(c1)F)F
• Canonical SMILES: Fc1cc(F)cc(c1)n1ncc2c1CCCC2NC(=O)c1cc(n(n1)C)C
• InChI: InChI=1S/C19H19F2N5O/c1-11-6-17(24-25(11)2)19(27)23-16-4-3-5-18-15(16)10-22-26(18)14-8-12(20)7-13(21)9-14/h6-10,16H,3-5H2,1-2H3,(H,23,27)
• InChIKey: GXHFCFOVDQPLFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-1,5-dimethyl-1H-pyrazole-3-carboxamide
• IUPAC Traditional name: N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
• Synonyms: N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-1,5-dimethyl-1H-pyrazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.240145
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9093313
• LogD (pH = 7.4): 2.9094148
• Log P: 2.909416
• Molar Refractivity: 109.3346 cm^3
• Polarizability: 36.13177 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.13
• LOG S: -6.89
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 3