7-(dimethoxymethyl)pyrazolo[1,5-a]pyrimidine

• ChemBase ID: 253699
• Molecular Formular: C9H11N3O2
• Molecular Mass: 193.20254
• Monoisotopic Mass: 193.08512661
• SMILES: n12c(ccnc1ccn2)C(OC)OC
• Canonical SMILES: COC(c1ccnc2n1ncc2)OC
• InChI: InChI=1S/C9H11N3O2/c1-13-9(14-2)7-3-5-10-8-4-6-11-12(7)8/h3-6,9H,1-2H3
• InChIKey: YQGLRHLYVLDJGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(dimethoxymethyl)pyrazolo[1,5-a]pyrimidine
• IUPAC Traditional name: 7-(dimethoxymethyl)pyrazolo[1,5-a]pyrimidine
• Synonyms: 7-(dimethoxymethyl)pyrazolo[1,5-a]pyrimidine

Database IDs

• MDL Number: MFCD09376372
• PubChem SID: 164309609
• PubChem CID: 16227980

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7276251
• LogD (pH = 7.4): 0.72765267
• Log P: 0.727653
• Molar Refractivity: 60.9993 cm^3
• Polarizability: 19.323128 Å^3
• Polar Surface Area: 48.65 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.475

Product Information

• Purity: 95%