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

• ChemBase ID: 49914
• Molecular Formular: C14H17ClN4O
• Molecular Mass: 292.76398
• Monoisotopic Mass: 292.10908886
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)NCc1ccccc1.Cl
• Canonical SMILES: O=C(c1n[nH]c2c1CNCC2)NCc1ccccc1.Cl
• InChI: InChI=1S/C14H16N4O.ClH/c19-14(16-8-10-4-2-1-3-5-10)13-11-9-15-7-6-12(11)17-18-13;/h1-5,15H,6-9H2,(H,16,19)(H,17,18);1H
• InChIKey: RPCQPQSNGQWPLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562763
• PubChem SID: 162054677
• PubChem CID: 56832218

CALCULATED PROPERTIES

• Acid pKa: 11.869715
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.953447
• LogD (pH = 7.4): -0.24522683
• Log P: 0.7516066
• Molar Refractivity: 74.5066 cm^3
• Polarizability: 27.651217 Å^3
• Polar Surface Area: 69.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false