2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(pyrrolidine-1-carbonyl)pyrazine

• ChemBase ID: 863206
• Molecular Formular: C14H17N5O
• Molecular Mass: 271.31768
• Monoisotopic Mass: 271.14331019
• SMILES: c1(c2nc(C(=O)N3CCCC3)cnc2)c([nH]nc1C)C
• Canonical SMILES: O=C(c1cncc(n1)c1c(C)n[nH]c1C)N1CCCC1
• InChI: InChI=1S/C14H17N5O/c1-9-13(10(2)18-17-9)11-7-15-8-12(16-11)14(20)19-5-3-4-6-19/h7-8H,3-6H2,1-2H3,(H,17,18)
• InChIKey: XVFMIGGZSCTWDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(pyrrolidine-1-carbonyl)pyrazine
• IUPAC Traditional name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(pyrrolidine-1-carbonyl)pyrazine
• Synonyms: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(pyrrolidin-1-ylcarbonyl)pyrazine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.995472
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.29434162
• LogD (pH = 7.4): 0.2957147
• Log P: 0.29573235
• Molar Refractivity: 75.9778 cm^3
• Polarizability: 29.306326 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.63
• LOG S: -1.72
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 2