4-({[(5-cyclopropyl-1H-pyrazol-3-yl)methyl](methyl)carbamoyl}amino)-N-(2-methoxyethyl)benzamide

• ChemBase ID: 660695
• Molecular Formular: C19H25N5O3
• Molecular Mass: 371.4335
• Monoisotopic Mass: 371.19573969
• SMILES: C(=O)(N(Cc1n[nH]c(c1)C1CC1)C)Nc1ccc(C(=O)NCCOC)cc1
• Canonical SMILES: COCCNC(=O)c1ccc(cc1)NC(=O)N(Cc1cc([nH]n1)C1CC1)C
• InChI: InChI=1S/C19H25N5O3/c1-24(12-16-11-17(23-22-16)13-3-4-13)19(26)21-15-7-5-14(6-8-15)18(25)20-9-10-27-2/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,20,25)(H,21,26)(H,22,23)
• InChIKey: OHDGYUDQJNLRKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({[(5-cyclopropyl-1H-pyrazol-3-yl)methyl](methyl)carbamoyl}amino)-N-(2-methoxyethyl)benzamide
• IUPAC Traditional name: 4-({[(5-cyclopropyl-1H-pyrazol-3-yl)methyl](methyl)carbamoyl}amino)-N-(2-methoxyethyl)benzamide
• Synonyms: 4-({[[(5-cyclopropyl-1H-pyrazol-3-yl)methyl](methyl)amino]carbonyl}amino)-N-(2-methoxyethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.79497
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.0854421
• LogD (pH = 7.4): 1.0855601
• Log P: 1.0855633
• Molar Refractivity: 104.5306 cm^3
• Polarizability: 38.387207 Å^3
• Polar Surface Area: 99.35 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.97
• LOG S: -2.74
• Polar Surface Area: 99.35 Å^2
• Rotatable Bonds: 8