2-[4-(dimethylamino)-6-oxo-1,6-dihydropyridazin-1-yl]-N-{2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetamide

• ChemBase ID: 817565
• Molecular Formular: C15H20N6O2
• Molecular Mass: 316.3583
• Monoisotopic Mass: 316.16477391
• SMILES: c1(c2c(nn1C)CCC2)NC(=O)Cn1c(=O)cc(cn1)N(C)C
• Canonical SMILES: O=C(Nc1n(C)nc2c1CCC2)Cn1ncc(cc1=O)N(C)C
• InChI: InChI=1S/C15H20N6O2/c1-19(2)10-7-14(23)21(16-8-10)9-13(22)17-15-11-5-4-6-12(11)18-20(15)3/h7-8H,4-6,9H2,1-3H3,(H,17,22)
• InChIKey: BAACNONWSLMOKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(dimethylamino)-6-oxo-1,6-dihydropyridazin-1-yl]-N-{2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetamide
• IUPAC Traditional name: 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-{2-methyl-4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetamide
• Synonyms: 2-[4-(dimethylamino)-6-oxo-1(6H)-pyridazinyl]-N-(2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.5533
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.08705035
• LogD (pH = 7.4): -0.08667149
• Log P: -0.08663581
• Molar Refractivity: 99.5278 cm^3
• Polarizability: 31.63817 Å^3
• Polar Surface Area: 82.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.01
• LOG S: -1.95
• Polar Surface Area: 85.05 Å^2
• Rotatable Bonds: 4