2-amino-N-cyclopropyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide

• ChemBase ID: 606608
• Molecular Formular: C20H24N6O
• Molecular Mass: 364.44416
• Monoisotopic Mass: 364.20115942
• SMILES: c1(C(C(=O)N(C2CC2)Cc2cn(nc2)c2ccccc2)N)c([nH]nc1C)C
• Canonical SMILES: O=C(C(c1c(C)n[nH]c1C)N)N(C1CC1)Cc1cnn(c1)c1ccccc1
• InChI: InChI=1S/C20H24N6O/c1-13-18(14(2)24-23-13)19(21)20(27)25(16-8-9-16)11-15-10-22-26(12-15)17-6-4-3-5-7-17/h3-7,10,12,16,19H,8-9,11,21H2,1-2H3,(H,23,24)
• InChIKey: GKFNNVJUIGASDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclopropyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide
• IUPAC Traditional name: 2-amino-N-cyclopropyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
• Synonyms: 2-amino-N-cyclopropyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.927889
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.51329297
• LogD (pH = 7.4): 1.051217
• Log P: 1.340335
• Molar Refractivity: 105.591 cm^3
• Polarizability: 40.378284 Å^3
• Polar Surface Area: 92.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.53
• LOG S: -3.16
• Polar Surface Area: 92.83 Å^2
• Rotatable Bonds: 6