N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,1-dimethyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide

• ChemBase ID: 693792
• Molecular Formular: C14H19N5O2
• Molecular Mass: 289.33296
• Monoisotopic Mass: 289.15387487
• SMILES: N1=C(C(=O)N(Cc2n[nH]c(c2)C2CC2)C)CCC(=O)N1C
• Canonical SMILES: CN(C(=O)C1=NN(C(=O)CC1)C)Cc1cc([nH]n1)C1CC1
• InChI: InChI=1S/C14H19N5O2/c1-18(8-10-7-12(16-15-10)9-3-4-9)14(21)11-5-6-13(20)19(2)17-11/h7,9H,3-6,8H2,1-2H3,(H,15,16)
• InChIKey: XBWUNGUJVQRNKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,1-dimethyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
• IUPAC Traditional name: N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
• Synonyms: N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,1-dimethyl-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.067912
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.1347186
• LogD (pH = 7.4): 0.13483816
• Log P: 0.13483979
• Molar Refractivity: 77.7955 cm^3
• Polarizability: 29.059042 Å^3
• Polar Surface Area: 81.66 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: -3.25
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 4