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

• ChemBase ID: 239372
• Molecular Formular: C7H7N5
• Molecular Mass: 161.16398
• Monoisotopic Mass: 161.07014525
• SMILES: c1(n2nccc2)c(N)cncn1
• Canonical SMILES: Nc1cncnc1n1cccn1
• InChI: InChI=1S/C7H7N5/c8-6-4-9-5-10-7(6)12-3-1-2-11-12/h1-5H,8H2
• InChIKey: APCFQHNKENASGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22378732
• PubChem SID: 164295282
• PubChem CID: 71756399

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.13227844
• LogD (pH = 7.4): -0.099352
• Log P: -0.09891446
• Molar Refractivity: 46.0979 cm^3
• Polarizability: 16.107483 Å^3
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.17

Product Information

• Purity: 95%