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

• ChemBase ID: 274703
• Molecular Formular: C8H8N4
• Molecular Mass: 160.17592
• Monoisotopic Mass: 160.07489628
• SMILES: n1(nc(cc1)N)c1ccncc1
• Canonical SMILES: Nc1ccn(n1)c1ccncc1
• InChI: InChI=1S/C8H8N4/c9-8-3-6-12(11-8)7-1-4-10-5-2-7/h1-6H,(H2,9,11)
• InChIKey: MLFSNFJRILWAGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14594743
• PubChem SID: 164330613
• PubChem CID: 54078236

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.36251393
• LogD (pH = 7.4): 0.13544108
• Log P: 0.60692346
• Molar Refractivity: 47.2767 cm^3
• Polarizability: 17.632704 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 192 - 194°C
• Hydrophobicity(logP): 0.243

Product Information

• Purity: 95%