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

• ChemBase ID: 49252
• Molecular Formular: C9H15ClN4O
• Molecular Mass: 230.6946
• Monoisotopic Mass: 230.0934388
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)NCC.Cl
• Canonical SMILES: CCNC(=O)c1n[nH]c2c1CNCC2.Cl
• InChI: InChI=1S/C9H14N4O.ClH/c1-2-11-9(14)8-6-5-10-4-3-7(6)12-13-8;/h10H,2-5H2,1H3,(H,11,14)(H,12,13);1H
• InChIKey: CQICJGGPHBBLEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562353
• PubChem SID: 162054015
• PubChem CID: 56832018

CALCULATED PROPERTIES

• Acid pKa: 11.875852
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.3211677
• LogD (pH = 7.4): -1.6129621
• Log P: -0.6160585
• Molar Refractivity: 54.6426 cm^3
• Polarizability: 19.928053 Å^3
• Polar Surface Area: 69.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false