N-(oxolan-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride

• ChemBase ID: 49733
• Molecular Formular: C12H19ClN4O2
• Molecular Mass: 286.75786
• Monoisotopic Mass: 286.11965355
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)NCC1OCCC1.Cl
• Canonical SMILES: O=C(c1n[nH]c2c1CNCC2)NCC1CCCO1.Cl
• InChI: InChI=1S/C12H18N4O2.ClH/c17-12(14-6-8-2-1-5-18-8)11-9-7-13-4-3-10(9)15-16-11;/h8,13H,1-7H2,(H,14,17)(H,15,16);1H
• InChIKey: HZIWPJVACBUMCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxolan-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride
• IUPAC Traditional name: N-(oxolan-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride
• Synonyms: N-(Tetrahydro-2-furanylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562644
• PubChem SID: 162054496
• PubChem CID: 56832146

CALCULATED PROPERTIES

• Acid pKa: 11.872698
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.2593656
• LogD (pH = 7.4): -1.5511545
• Log P: -0.5542775
• Molar Refractivity: 68.1487 cm^3
• Polarizability: 25.435303 Å^3
• Polar Surface Area: 79.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false