N-cyclohexyl-3-{[1-(1H-pyrazol-1-yl)propan-2-yl]amino}propanamide

• ChemBase ID: 722704
• Molecular Formular: C15H26N4O
• Molecular Mass: 278.39314
• Monoisotopic Mass: 278.21066147
• SMILES: n1(nccc1)CC(NCCC(=O)NC1CCCCC1)C
• Canonical SMILES: CC(Cn1cccn1)NCCC(=O)NC1CCCCC1
• InChI: InChI=1S/C15H26N4O/c1-13(12-19-11-5-9-17-19)16-10-8-15(20)18-14-6-3-2-4-7-14/h5,9,11,13-14,16H,2-4,6-8,10,12H2,1H3,(H,18,20)
• InChIKey: RDNOWPLVYGHUFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-3-{[1-(1H-pyrazol-1-yl)propan-2-yl]amino}propanamide
• IUPAC Traditional name: N-cyclohexyl-3-{[1-(pyrazol-1-yl)propan-2-yl]amino}propanamide
• Synonyms: N-cyclohexyl-3-{[1-methyl-2-(1H-pyrazol-1-yl)ethyl]amino}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.787641
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.740929
• LogD (pH = 7.4): -0.45637357
• Log P: 1.3842775
• Molar Refractivity: 90.6217 cm^3
• Polarizability: 31.15995 Å^3
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.76
• LOG S: -2.73
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 7