4-(1H-pyrazol-1-yl)pyridin-3-amine

• ChemBase ID: 271469
• Molecular Formular: C8H8N4
• Molecular Mass: 160.17592
• Monoisotopic Mass: 160.07489628
• SMILES: n1(c2c(N)cncc2)nccc1
• Canonical SMILES: Nc1cnccc1n1cccn1
• InChI: InChI=1S/C8H8N4/c9-7-6-10-4-2-8(7)12-5-1-3-11-12/h1-6H,9H2
• InChIKey: OFDKULOZRHMIAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11184549
• PubChem SID: 164327379
• PubChem CID: 28890021

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.96006656
• LogD (pH = 7.4): -0.5152792
• Log P: 0.012465942
• Molar Refractivity: 46.9632 cm^3
• Polarizability: 17.643156 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.845

Product Information

• Purity: 95%