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

• ChemBase ID: 49269
• Molecular Formular: C7H11ClN4O
• Molecular Mass: 202.64144
• Monoisotopic Mass: 202.06213867
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)N.Cl
• Canonical SMILES: NC(=O)c1n[nH]c2c1CNCC2.Cl
• InChI: InChI=1S/C7H10N4O.ClH/c8-7(12)6-4-3-9-2-1-5(4)10-11-6;/h9H,1-3H2,(H2,8,12)(H,10,11);1H
• InChIKey: FABCAWGWTHXOQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562355
• PubChem SID: 162054032
• PubChem CID: 56832020

CALCULATED PROPERTIES

• Acid pKa: 11.900798
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.9021435
• LogD (pH = 7.4): -2.1940663
• Log P: -1.1965426
• Molar Refractivity: 44.9973 cm^3
• Polarizability: 16.26859 Å^3
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false