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

• ChemBase ID: 49499
• Molecular Formular: C11H19ClN4O2
• Molecular Mass: 274.74716
• Monoisotopic Mass: 274.11965355
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)NCCC(O)C.Cl
• Canonical SMILES: CC(CCNC(=O)c1n[nH]c2c1CNCC2)O.Cl
• InChI: InChI=1S/C11H18N4O2.ClH/c1-7(16)2-5-13-11(17)10-8-6-12-4-3-9(8)14-15-10;/h7,12,16H,2-6H2,1H3,(H,13,17)(H,14,15);1H
• InChIKey: BYVVYFILKDWTKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxybutyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride
• IUPAC Traditional name: N-(3-hydroxybutyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride
• Synonyms: N-(3-Hydroxybutyl)-4,5,6,7-tetrahydro-1H-pyrazolo-[4,3-c]pyridine-3-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562503
• PubChem SID: 162054262
• PubChem CID: 56832077

CALCULATED PROPERTIES

• Acid pKa: 11.87538
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -3.8915403
• LogD (pH = 7.4): -2.183334
• Log P: -1.1864338
• Molar Refractivity: 65.4705 cm^3
• Polarizability: 24.249441 Å^3
• Polar Surface Area: 90.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false