5-methyl-2-(4-methyl-1H-pyrazol-1-yl)pyridin-3-amine

• ChemBase ID: 244962
• Molecular Formular: C10H12N4
• Molecular Mass: 188.22908
• Monoisotopic Mass: 188.1061964
• SMILES: n1(c2ncc(cc2N)C)ncc(c1)C
• Canonical SMILES: Cc1cnc(c(c1)N)n1ncc(c1)C
• InChI: InChI=1S/C10H12N4/c1-7-3-9(11)10(12-4-7)14-6-8(2)5-13-14/h3-6H,11H2,1-2H3
• InChIKey: IUZAXOXXFPQKGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21738750
• PubChem SID: 164300872
• PubChem CID: 66279996

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6325785
• LogD (pH = 7.4): 1.6337513
• Log P: 1.6337663
• Molar Refractivity: 57.3591 cm^3
• Polarizability: 20.502254 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.613

Product Information

• Purity: 95%