N-[1-(1-cyclopropylethyl)-1H-pyrazol-5-yl]-2-(4-phenyl-1H-imidazol-1-yl)acetamide

• ChemBase ID: 696955
• Molecular Formular: C19H21N5O
• Molecular Mass: 335.40294
• Monoisotopic Mass: 335.17461032
• SMILES: n1(c(NC(=O)Cn2cc(nc2)c2ccccc2)ccn1)C(C1CC1)C
• Canonical SMILES: O=C(Nc1ccnn1C(C1CC1)C)Cn1cnc(c1)c1ccccc1
• InChI: InChI=1S/C19H21N5O/c1-14(15-7-8-15)24-18(9-10-21-24)22-19(25)12-23-11-17(20-13-23)16-5-3-2-4-6-16/h2-6,9-11,13-15H,7-8,12H2,1H3,(H,22,25)
• InChIKey: JORXAKIQVUJEGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-cyclopropylethyl)-1H-pyrazol-5-yl]-2-(4-phenyl-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(4-phenylimidazol-1-yl)acetamide
• Synonyms: N-[1-(1-cyclopropylethyl)-1H-pyrazol-5-yl]-2-(4-phenyl-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.066703
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3908584
• LogD (pH = 7.4): 2.7306037
• Log P: 2.738116
• Molar Refractivity: 107.5531 cm^3
• Polarizability: 37.776917 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.66
• LOG S: -3.92
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 6