1-(4-methylpyridin-2-yl)-1H-pyrazol-5-amine

• ChemBase ID: 240245
• Molecular Formular: C9H10N4
• Molecular Mass: 174.2025
• Monoisotopic Mass: 174.09054634
• SMILES: n1(c(ccn1)N)c1nccc(c1)C
• Canonical SMILES: Cc1ccnc(c1)n1nccc1N
• InChI: InChI=1S/C9H10N4/c1-7-2-4-11-9(6-7)13-8(10)3-5-12-13/h2-6H,10H2,1H3
• InChIKey: DKLPWHGNIJCMIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16093548
• PubChem SID: 164296155
• PubChem CID: 61733476

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2083001
• LogD (pH = 7.4): 1.209619
• Log P: 1.2096359
• Molar Refractivity: 51.5712 cm^3
• Polarizability: 18.734333 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.742

Product Information

• Purity: 95%