4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-6-ol

• ChemBase ID: 291640
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: OC1CNc2ccnn2C1
• Canonical SMILES: OC1CNc2n(C1)ncc2
• InChI: InChI=1S/C6H9N3O/c10-5-3-7-6-1-2-8-9(6)4-5/h1-2,5,7,10H,3-4H2
• InChIKey: AWZOEIIEAAPKIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-6-ol
• IUPAC Traditional name: 4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-6-ol
• Synonyms: 4,5,6,7-Tetrahydropyrazolo[1,5-a]pyrimidin-6-ol

Database IDs

• CAS Number: 126353-18-2
• MDL Number: MFCD19226608
• PubChem SID: 180677171
• PubChem CID: 18955285

CALCULATED PROPERTIES

• Acid pKa: 14.345584
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8416936
• LogD (pH = 7.4): -0.83872294
• Log P: -0.83868486
• Molar Refractivity: 48.402 cm^3
• Polarizability: 13.648947 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%