N-[3-(1H-imidazol-1-yl)propyl]-N-(pyridin-3-ylmethyl)-2-(trimethyl-1H-pyrazol-1-yl)acetamide

• ChemBase ID: 857605
• Molecular Formular: C20H26N6O
• Molecular Mass: 366.46004
• Monoisotopic Mass: 366.21680948
• SMILES: n1(nc(c(c1C)C)C)CC(=O)N(Cc1cnccc1)CCCn1cncc1
• Canonical SMILES: O=C(N(Cc1cccnc1)CCCn1ccnc1)Cn1nc(c(c1C)C)C
• InChI: InChI=1S/C20H26N6O/c1-16-17(2)23-26(18(16)3)14-20(27)25(13-19-6-4-7-21-12-19)10-5-9-24-11-8-22-15-24/h4,6-8,11-12,15H,5,9-10,13-14H2,1-3H3
• InChIKey: RDBCKIKHIOTAQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-imidazol-1-yl)propyl]-N-(pyridin-3-ylmethyl)-2-(trimethyl-1H-pyrazol-1-yl)acetamide
• IUPAC Traditional name: N-[3-(imidazol-1-yl)propyl]-N-(pyridin-3-ylmethyl)-2-(trimethylpyrazol-1-yl)acetamide
• Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-N-(pyridin-3-ylmethyl)-2-(3,4,5-trimethyl-1H-pyrazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.2301811
• LogD (pH = 7.4): 0.76783574
• Log P: 0.8375389
• Molar Refractivity: 116.7056 cm^3
• Polarizability: 39.78392 Å^3
• Polar Surface Area: 68.84 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.2
• LOG S: -1.6
• Polar Surface Area: 68.84 Å^2
• Rotatable Bonds: 8