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

• ChemBase ID: 49655
• Molecular Formular: C11H19ClN4O2
• Molecular Mass: 274.74716
• Monoisotopic Mass: 274.11965355
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)NCCCOC.Cl
• Canonical SMILES: COCCCNC(=O)c1n[nH]c2c1CNCC2.Cl
• InChI: InChI=1S/C11H18N4O2.ClH/c1-17-6-2-4-13-11(16)10-8-7-12-5-3-9(8)14-15-10;/h12H,2-7H2,1H3,(H,13,16)(H,14,15);1H
• InChIKey: OGXKUYACMSBDOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562603
• PubChem SID: 162054418
• PubChem CID: 56832133

CALCULATED PROPERTIES

• Acid pKa: 11.875467
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.664989
• LogD (pH = 7.4): -1.9567827
• Log P: -0.95988226
• Molar Refractivity: 65.8029 cm^3
• Polarizability: 24.319132 Å^3
• Polar Surface Area: 79.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false