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

• ChemBase ID: 49525
• Molecular Formular: C10H17ClN4O2
• Molecular Mass: 260.72058
• Monoisotopic Mass: 260.10400348
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)NCCOC.Cl
• Canonical SMILES: COCCNC(=O)c1n[nH]c2c1CNCC2.Cl
• InChI: InChI=1S/C10H16N4O2.ClH/c1-16-5-4-12-10(15)9-7-6-11-3-2-8(7)13-14-9;/h11H,2-6H2,1H3,(H,12,15)(H,13,14);1H
• InChIKey: IAGNIYFAQZUBFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562519
• PubChem SID: 162054288
• PubChem CID: 56832089

CALCULATED PROPERTIES

• Acid pKa: 11.873019
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.7249322
• LogD (pH = 7.4): -2.0167217
• Log P: -1.019842
• Molar Refractivity: 60.9375 cm^3
• Polarizability: 22.489077 Å^3
• Polar Surface Area: 79.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false