pyrazolo[1,5-a]pyrimidin-3-ylmethanamine

• ChemBase ID: 307019
• Molecular Formular: C7H8N4
• Molecular Mass: 148.16522
• Monoisotopic Mass: 148.07489628
• SMILES: c12n(ncc1CN)cccn2
• Canonical SMILES: NCc1cnn2c1nccc2
• InChI: InChI=1S/C7H8N4/c8-4-6-5-10-11-3-1-2-9-7(6)11/h1-3,5H,4,8H2
• InChIKey: FGRZCMUHPMQSAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazolo[1,5-a]pyrimidin-3-ylmethanamine
• IUPAC Traditional name: pyrazolo[1,5-a]pyrimidin-3-ylmethanamine
• Synonyms: (pyrazolo[1,5-a]pyrimidin-3-ylmethyl)amine

Database IDs

• CAS Number: 933749-82-7
• MDL Number: MFCD19982707

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.1350634
• LogD (pH = 7.4): -1.8469707
• Log P: -0.22125894
• Molar Refractivity: 52.247 cm^3
• Polarizability: 15.750283 Å^3
• Polar Surface Area: 56.21 Å^2