N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-(propan-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 713886
• Molecular Formular: C18H31N5O
• Molecular Mass: 333.47164
• Monoisotopic Mass: 333.25286064
• SMILES: C(=O)(N(Cc1cn(nc1)CC)C(C)C)C1NCC2(C1)CCNCC2
• Canonical SMILES: CCn1ncc(c1)CN(C(=O)C1NCC2(C1)CCNCC2)C(C)C
• InChI: InChI=1S/C18H31N5O/c1-4-22-11-15(10-21-22)12-23(14(2)3)17(24)16-9-18(13-20-16)5-7-19-8-6-18/h10-11,14,16,19-20H,4-9,12-13H2,1-3H3
• InChIKey: YEPFYJQEGRMBNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-(propan-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-[(1-ethylpyrazol-4-yl)methyl]-N-isopropyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-isopropyl-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -6.014347
• LogD (pH = 7.4): -4.751324
• Log P: 0.42882165
• Molar Refractivity: 107.2118 cm^3
• Polarizability: 37.47888 Å^3
• Polar Surface Area: 62.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.12
• LOG S: -3.04
• Polar Surface Area: 62.19 Å^2
• Rotatable Bonds: 5