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

• ChemBase ID: 49396
• Molecular Formular: C9H15ClN4O2
• Molecular Mass: 246.694
• Monoisotopic Mass: 246.08835342
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)NCCO.Cl
• Canonical SMILES: OCCNC(=O)c1n[nH]c2c1CNCC2.Cl
• InChI: InChI=1S/C9H14N4O2.ClH/c14-4-3-11-9(15)8-6-5-10-2-1-7(6)12-13-8;/h10,14H,1-5H2,(H,11,15)(H,12,13);1H
• InChIKey: VDWFHJNKEUZDSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562432
• PubChem SID: 162054159
• PubChem CID: 56832040

CALCULATED PROPERTIES

• Acid pKa: 11.872944
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -4.3680587
• LogD (pH = 7.4): -2.6598482
• Log P: -1.6629685
• Molar Refractivity: 56.1863 cm^3
• Polarizability: 20.592785 Å^3
• Polar Surface Area: 90.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false