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

• ChemBase ID: 282545
• Molecular Formular: C9H10N4O
• Molecular Mass: 190.2019
• Monoisotopic Mass: 190.08546096
• SMILES: n1(c2cc(c(nc2)OC)N)nccc1
• Canonical SMILES: COc1ncc(cc1N)n1cccn1
• InChI: InChI=1S/C9H10N4O/c1-14-9-8(10)5-7(6-11-9)13-4-2-3-12-13/h2-6H,10H2,1H3
• InChIKey: YMPDFTJOBQPLHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18089652
• PubChem SID: 180668076
• PubChem CID: 50989277

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.44802278
• LogD (pH = 7.4): 0.44923672
• Log P: 0.44925222
• Molar Refractivity: 53.7399 cm^3
• Polarizability: 20.171978 Å^3
• Polar Surface Area: 65.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.635

Product Information

• Purity: 95%