5-[4-methyl-2-(1H-pyrazol-1-yl)phenyl]pyrazin-2-amine

• ChemBase ID: 491498
• Molecular Formular: C14H13N5
• Molecular Mass: 251.28652
• Monoisotopic Mass: 251.11709544
• SMILES: c1(n2nccc2)c(c2ncc(nc2)N)ccc(c1)C
• Canonical SMILES: Cc1ccc(c(c1)n1cccn1)c1cnc(cn1)N
• InChI: InChI=1S/C14H13N5/c1-10-3-4-11(12-8-17-14(15)9-16-12)13(7-10)19-6-2-5-18-19/h2-9H,1H3,(H2,15,17)
• InChIKey: ITIOJLZMLQIFMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-methyl-2-(1H-pyrazol-1-yl)phenyl]pyrazin-2-amine
• IUPAC Traditional name: 5-[4-methyl-2-(pyrazol-1-yl)phenyl]pyrazin-2-amine
• Synonyms: 5-[4-methyl-2-(1H-pyrazol-1-yl)phenyl]pyrazin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9355865
• LogD (pH = 7.4): 1.9357461
• Log P: 1.9357481
• Molar Refractivity: 74.9252 cm^3
• Polarizability: 29.506865 Å^3
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.89
• LOG S: -3.5
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 2