3-methyl-1-propyl-N-[1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-1H-pyrazole-4-carboxamide

• ChemBase ID: 547401
• Molecular Formular: C20H24N6O
• Molecular Mass: 364.44416
• Monoisotopic Mass: 364.20115942
• SMILES: c12c(n(nc1)c1ncccc1)CCCC2NC(=O)c1c(nn(c1)CCC)C
• Canonical SMILES: CCCn1nc(c(c1)C(=O)NC1CCCc2c1cnn2c1ccccn1)C
• InChI: InChI=1S/C20H24N6O/c1-3-11-25-13-16(14(2)24-25)20(27)23-17-7-6-8-18-15(17)12-22-26(18)19-9-4-5-10-21-19/h4-5,9-10,12-13,17H,3,6-8,11H2,1-2H3,(H,23,27)
• InChIKey: ARVHZFNXOXQGDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-propyl-N-[1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: 3-methyl-1-propyl-N-[1-(pyridin-2-yl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-4-carboxamide
• Synonyms: 3-methyl-1-propyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.475101
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4258347
• LogD (pH = 7.4): 2.4260826
• Log P: 2.426086
• Molar Refractivity: 116.1448 cm^3
• Polarizability: 38.847908 Å^3
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.95
• LOG S: -4.38
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 5