1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine hydrochloride

• ChemBase ID: 286672
• Molecular Formular: C12H14ClN3
• Molecular Mass: 235.71266
• Monoisotopic Mass: 235.08762514
• SMILES: n1(ncc2c1CCNC2)c1ccccc1.Cl
• Canonical SMILES: c1ccc(cc1)n1ncc2c1CCNC2.Cl
• InChI: InChI=1S/C12H13N3.ClH/c1-2-4-11(5-3-1)15-12-6-7-13-8-10(12)9-14-15;/h1-5,9,13H,6-8H2;1H
• InChIKey: QOZXXZQYYNUAMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine hydrochloride
• IUPAC Traditional name: 1-phenyl-4H,5H,6H,7H-pyrazolo[4,3-c]pyridine hydrochloride
• Synonyms: 1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine hydrochloride

Database IDs

• MDL Number: MFCD11867369
• PubChem SID: 180672203
• PubChem CID: 52988168

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5359999
• LogD (pH = 7.4): 0.09315594
• Log P: 1.3486013
• Molar Refractivity: 60.9652 cm^3
• Polarizability: 23.675507 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.419

Product Information

• Purity: 95%