N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide

• ChemBase ID: 340120
• Molecular Formular: C15H21N5O2
• Molecular Mass: 303.35954
• Monoisotopic Mass: 303.16952494
• SMILES: n1c(C(=O)NCCc2c(n(nc2C)CC)C)ccc(=O)n1C
• Canonical SMILES: CCn1nc(c(c1C)CCNC(=O)c1ccc(=O)n(n1)C)C
• InChI: InChI=1S/C15H21N5O2/c1-5-20-11(3)12(10(2)17-20)8-9-16-15(22)13-6-7-14(21)19(4)18-13/h6-7H,5,8-9H2,1-4H3,(H,16,22)
• InChIKey: NLAIHQRBWHZWJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
• IUPAC Traditional name: N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
• Synonyms: N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.805239
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.42950428
• LogD (pH = 7.4): 0.43181038
• Log P: 0.43183988
• Molar Refractivity: 96.6087 cm^3
• Polarizability: 31.20598 Å^3
• Polar Surface Area: 79.59 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: 0.02
• LOG S: -2.74
• Polar Surface Area: 81.81 Å^2
• Rotatable Bonds: 5