6-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]pyridin-2-amine

• ChemBase ID: 537182
• Molecular Formular: C15H14N4
• Molecular Mass: 250.29846
• Monoisotopic Mass: 250.12184647
• SMILES: c1(nc(ccc1c1ccc(c2[nH]ncc2)cc1)C)N
• Canonical SMILES: Cc1ccc(c(n1)N)c1ccc(cc1)c1ccn[nH]1
• InChI: InChI=1S/C15H14N4/c1-10-2-7-13(15(16)18-10)11-3-5-12(6-4-11)14-8-9-17-19-14/h2-9H,1H3,(H2,16,18)(H,17,19)
• InChIKey: WAXYJLMSORBZGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]pyridin-2-amine
• IUPAC Traditional name: 6-methyl-3-[4-(2H-pyrazol-3-yl)phenyl]pyridin-2-amine
• Synonyms: 6-methyl-3-[4-(1H-pyrazol-5-yl)phenyl]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.999868
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.64450645
• LogD (pH = 7.4): 1.9558711
• Log P: 2.1711109
• Molar Refractivity: 77.3438 cm^3
• Polarizability: 31.148264 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.9
• LOG S: -3.5
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 2