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

• ChemBase ID: 49811
• Molecular Formular: C12H21ClN4O2
• Molecular Mass: 288.77374
• Monoisotopic Mass: 288.13530361
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)NCCCOCC.Cl
• Canonical SMILES: CCOCCCNC(=O)c1n[nH]c2c1CNCC2.Cl
• InChI: InChI=1S/C12H20N4O2.ClH/c1-2-18-7-3-5-14-12(17)11-9-8-13-6-4-10(9)15-16-11;/h13H,2-8H2,1H3,(H,14,17)(H,15,16);1H
• InChIKey: RBVLPYOSHFSDGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562700
• PubChem SID: 162054574
• PubChem CID: 56832185

CALCULATED PROPERTIES

• Acid pKa: 11.875467
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.308181
• LogD (pH = 7.4): -1.5999748
• Log P: -0.6030743
• Molar Refractivity: 70.5515 cm^3
• Polarizability: 26.151186 Å^3
• Polar Surface Area: 79.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false