N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide

• ChemBase ID: 565827
• Molecular Formular: C20H23N5O
• Molecular Mass: 349.42952
• Monoisotopic Mass: 349.19026038
• SMILES: n1(c(ncc1)c1ccccc1)CC(=O)NCCCn1c(C2CC2)ccn1
• Canonical SMILES: O=C(Cn1ccnc1c1ccccc1)NCCCn1nccc1C1CC1
• InChI: InChI=1S/C20H23N5O/c26-19(15-24-14-12-22-20(24)17-5-2-1-3-6-17)21-10-4-13-25-18(9-11-23-25)16-7-8-16/h1-3,5-6,9,11-12,14,16H,4,7-8,10,13,15H2,(H,21,26)
• InChIKey: SMOJIPNVQFGXQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.357372
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3481343
• LogD (pH = 7.4): 1.8921202
• Log P: 1.9108102
• Molar Refractivity: 122.0155 cm^3
• Polarizability: 38.940155 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.9
• LOG S: -3.37
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 8