ethyl 7-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate

• ChemBase ID: 50828
• Molecular Formular: C9H10N4O2
• Molecular Mass: 206.2013
• Monoisotopic Mass: 206.08037558
• SMILES: n12c(c(cn1)C(=O)OCC)nccc2N
• Canonical SMILES: CCOC(=O)c1cnn2c1nccc2N
• InChI: InChI=1S/C9H10N4O2/c1-2-15-9(14)6-5-12-13-7(10)3-4-11-8(6)13/h3-5H,2,10H2,1H3
• InChIKey: YSYFACLHRFMDES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 7-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
• IUPAC Traditional name: ethyl 7-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
• Synonyms: Ethyl 7-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate

Database IDs

• MDL Number: MFCD12407815
• PubChem SID: 162055591
• PubChem CID: 45588467

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.27351344
• LogD (pH = 7.4): 0.27362123
• Log P: 0.2736226
• Molar Refractivity: 64.5012 cm^3
• Polarizability: 19.8677 Å^3
• Polar Surface Area: 82.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%