1-(pyridin-4-yl)-1H-pyrazol-5-amine

• ChemBase ID: 240591
• Molecular Formular: C8H8N4
• Molecular Mass: 160.17592
• Monoisotopic Mass: 160.07489628
• SMILES: n1(c(ccn1)N)c1ccncc1
• Canonical SMILES: Nc1ccnn1c1ccncc1
• InChI: InChI=1S/C8H8N4/c9-8-3-6-11-12(8)7-1-4-10-5-2-7/h1-6H,9H2
• InChIKey: DLTALKKLSLUOPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12134536
• PubChem SID: 164296501
• PubChem CID: 43543037

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.84997934
• LogD (pH = 7.4): -0.2098539
• Log P: 0.10175695
• Molar Refractivity: 46.2165 cm^3
• Polarizability: 17.637518 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.243

Product Information

• Purity: 95%