5,7-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine

• ChemBase ID: 260078
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c12n(ncc2)C(CC(N1)C)C
• Canonical SMILES: CC1CC(C)Nc2n1ncc2
• InChI: InChI=1S/C8H13N3/c1-6-5-7(2)11-8(10-6)3-4-9-11/h3-4,6-7,10H,5H2,1-2H3
• InChIKey: KPJSZWPCRKZTMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
• IUPAC Traditional name: 5,7-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
• Synonyms: 5,7-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine

Database IDs

• MDL Number: MFCD09040615
• PubChem SID: 164315988
• PubChem CID: 16228680

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.68178296
• LogD (pH = 7.4): 0.68472224
• Log P: 0.68475986
• Molar Refractivity: 56.1425 cm^3
• Polarizability: 16.666964 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.316

Product Information

• Purity: 95%