N-methyl-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}pyrazin-2-amine

• ChemBase ID: 861857
• Molecular Formular: C15H15N5
• Molecular Mass: 265.3131
• Monoisotopic Mass: 265.13274551
• SMILES: n1(nccc1)c1ccc(CN(c2nccnc2)C)cc1
• Canonical SMILES: CN(c1cnccn1)Cc1ccc(cc1)n1cccn1
• InChI: InChI=1S/C15H15N5/c1-19(15-11-16-8-9-17-15)12-13-3-5-14(6-4-13)20-10-2-7-18-20/h2-11H,12H2,1H3
• InChIKey: RFICQKXRBILSAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}pyrazin-2-amine
• IUPAC Traditional name: N-methyl-N-{[4-(pyrazol-1-yl)phenyl]methyl}pyrazin-2-amine
• Synonyms: N-methyl-N-[4-(1H-pyrazol-1-yl)benzyl]-2-pyrazinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0505264
• LogD (pH = 7.4): 2.0506918
• Log P: 2.050694
• Molar Refractivity: 79.4606 cm^3
• Polarizability: 30.033155 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.76
• LOG S: -3.49
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4