1-ethenyl-N-{2-[4-(propan-2-yl)morpholin-2-yl]ethyl}-1H-pyrazole-4-carboxamide

• ChemBase ID: 570769
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: c1(cn(nc1)C=C)C(=O)NCCC1CN(C(C)C)CCO1
• Canonical SMILES: C=Cn1ncc(c1)C(=O)NCCC1OCCN(C1)C(C)C
• InChI: InChI=1S/C15H24N4O2/c1-4-19-10-13(9-17-19)15(20)16-6-5-14-11-18(12(2)3)7-8-21-14/h4,9-10,12,14H,1,5-8,11H2,2-3H3,(H,16,20)
• InChIKey: YOTRIFNEQKVDAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenyl-N-{2-[4-(propan-2-yl)morpholin-2-yl]ethyl}-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: 1-ethenyl-N-[2-(4-isopropylmorpholin-2-yl)ethyl]pyrazole-4-carboxamide
• Synonyms: N-[2-(4-isopropylmorpholin-2-yl)ethyl]-1-vinyl-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.3356
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5549191
• LogD (pH = 7.4): 0.16363941
• Log P: 0.6733505
• Molar Refractivity: 93.4253 cm^3
• Polarizability: 31.562428 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.36
• LOG S: -1.64
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6