5-(2-chlorophenyl)-N-cyclopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide

• ChemBase ID: 824432
• Molecular Formular: C19H18ClN3O2
• Molecular Mass: 355.81812
• Monoisotopic Mass: 355.10875451
• SMILES: c1(C(=O)N(C2CC2)Cc2cn(nc2)C)oc(c2c(Cl)cccc2)cc1
• Canonical SMILES: Cn1ncc(c1)CN(C(=O)c1ccc(o1)c1ccccc1Cl)C1CC1
• InChI: InChI=1S/C19H18ClN3O2/c1-22-11-13(10-21-22)12-23(14-6-7-14)19(24)18-9-8-17(25-18)15-4-2-3-5-16(15)20/h2-5,8-11,14H,6-7,12H2,1H3
• InChIKey: OLAMCNHWJKOLPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-chlorophenyl)-N-cyclopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
• IUPAC Traditional name: 5-(2-chlorophenyl)-N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
• Synonyms: 5-(2-chlorophenyl)-N-cyclopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1205735
• LogD (pH = 7.4): 3.1206527
• Log P: 3.1206539
• Molar Refractivity: 107.8664 cm^3
• Polarizability: 37.66132 Å^3
• Polar Surface Area: 51.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.88
• LOG S: -4.25
• Polar Surface Area: 51.27 Å^2
• Rotatable Bonds: 5