7-aminopyrazolo[1,5-a]pyrimidin-5-ol

• ChemBase ID: 50838
• Molecular Formular: C6H6N4O
• Molecular Mass: 150.13804
• Monoisotopic Mass: 150.05416083
• SMILES: n12c(nc(cc1N)O)ccn2
• Canonical SMILES: Oc1cc(N)n2c(n1)ccn2
• InChI: InChI=1S/C6H6N4O/c7-4-3-6(11)9-5-1-2-8-10(4)5/h1-3H,7H2,(H,9,11)
• InChIKey: QSGSNGVHVWEZRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-aminopyrazolo[1,5-a]pyrimidin-5-ol
• IUPAC Traditional name: 7-aminopyrazolo[1,5-a]pyrimidin-5-ol
• Synonyms: 7-Aminopyrazolo[1,5-a]pyrimidin-5-ol

Database IDs

• CAS Number: 89418-10-0
• MDL Number: MFCD02091626
• PubChem SID: 162055601
• PubChem CID: 15172581

CALCULATED PROPERTIES

• Acid pKa: 10.202857
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.20418616
• LogD (pH = 7.4): 0.20355542
• Log P: 0.20422989
• Molar Refractivity: 50.0217 cm^3
• Polarizability: 14.187956 Å^3
• Polar Surface Area: 76.44 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%