N-{[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methyl}morpholine-2-carboxamide

• ChemBase ID: 582484
• Molecular Formular: C13H20N4O2
• Molecular Mass: 264.3235
• Monoisotopic Mass: 264.1586259
• SMILES: C1(CC1)(Cn1nccc1)CNC(=O)C1OCCNC1
• Canonical SMILES: O=C(C1CNCCO1)NCC1(CC1)Cn1cccn1
• InChI: InChI=1S/C13H20N4O2/c18-12(11-8-14-5-7-19-11)15-9-13(2-3-13)10-17-6-1-4-16-17/h1,4,6,11,14H,2-3,5,7-10H2,(H,15,18)
• InChIKey: WFZCCIDODQIHRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methyl}morpholine-2-carboxamide
• IUPAC Traditional name: N-{[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl}morpholine-2-carboxamide
• Synonyms: N-{[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methyl}morpholine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.003292
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.701018
• LogD (pH = 7.4): -1.0044097
• Log P: -0.507216
• Molar Refractivity: 81.1316 cm^3
• Polarizability: 27.54836 Å^3
• Polar Surface Area: 68.18 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: -1.52
• LOG S: -1.14
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 5