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

• ChemBase ID: 118560
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: n12c(c(cn1)CN)cccc2
• Canonical SMILES: NCc1cnn2c1cccc2
• InChI: InChI=1S/C8H9N3/c9-5-7-6-10-11-4-2-1-3-8(7)11/h1-4,6H,5,9H2
• InChIKey: CUKKPJJAMSZCEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 118054-99-2
• MDL Number: MFCD06739257
• PubChem SID: 162107436
• PubChem CID: 14145805

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3223996
• LogD (pH = 7.4): -1.1682826
• Log P: 0.62895143
• Molar Refractivity: 54.4513 cm^3
• Polarizability: 17.331879 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.215

Product Information

• Purity: 95%
• Salt Data: HCl