N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-(1H-pyrazol-1-yl)butanamide

• ChemBase ID: 728597
• Molecular Formular: C15H23N5O
• Molecular Mass: 289.37602
• Monoisotopic Mass: 289.19026038
• SMILES: n1n(c(cc1C)C)CCCNC(=O)C(n1nccc1)CC
• Canonical SMILES: CCC(n1cccn1)C(=O)NCCCn1nc(cc1C)C
• InChI: InChI=1S/C15H23N5O/c1-4-14(20-10-6-8-17-20)15(21)16-7-5-9-19-13(3)11-12(2)18-19/h6,8,10-11,14H,4-5,7,9H2,1-3H3,(H,16,21)
• InChIKey: NHUPSHVKCLYCMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-(1H-pyrazol-1-yl)butanamide
• IUPAC Traditional name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(pyrazol-1-yl)butanamide
• Synonyms: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-(1H-pyrazol-1-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.165951
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0044175
• LogD (pH = 7.4): 1.0075414
• Log P: 1.0075815
• Molar Refractivity: 104.3818 cm^3
• Polarizability: 31.16835 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.31
• LOG S: -2.43
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 7