3-(2-ethyl-1H-imidazol-1-yl)-N-methyl-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}propanamide

• ChemBase ID: 679469
• Molecular Formular: C19H23N5O
• Molecular Mass: 337.41882
• Monoisotopic Mass: 337.19026038
• SMILES: n1(nccc1)c1ccc(CN(C(=O)CCn2c(ncc2)CC)C)cc1
• Canonical SMILES: CCc1nccn1CCC(=O)N(Cc1ccc(cc1)n1cccn1)C
• InChI: InChI=1S/C19H23N5O/c1-3-18-20-11-14-23(18)13-9-19(25)22(2)15-16-5-7-17(8-6-16)24-12-4-10-21-24/h4-8,10-12,14H,3,9,13,15H2,1-2H3
• InChIKey: STKGPGZXDBMXQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-ethyl-1H-imidazol-1-yl)-N-methyl-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}propanamide
• IUPAC Traditional name: 3-(2-ethylimidazol-1-yl)-N-methyl-N-{[4-(pyrazol-1-yl)phenyl]methyl}propanamide
• Synonyms: 3-(2-ethyl-1H-imidazol-1-yl)-N-methyl-N-[4-(1H-pyrazol-1-yl)benzyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0737375
• LogD (pH = 7.4): 1.8708088
• Log P: 2.0677497
• Molar Refractivity: 98.351 cm^3
• Polarizability: 37.831448 Å^3
• Polar Surface Area: 55.95 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.42
• LOG S: -2.87
• Polar Surface Area: 55.95 Å^2
• Rotatable Bonds: 7