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

• ChemBase ID: 49068
• Molecular Formular: C11H19ClN4O
• Molecular Mass: 258.74776
• Monoisotopic Mass: 258.12473893
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)N(CC)CC.Cl
• Canonical SMILES: CCN(C(=O)c1n[nH]c2c1CNCC2)CC.Cl
• InChI: InChI=1S/C11H18N4O.ClH/c1-3-15(4-2)11(16)10-8-7-12-6-5-9(8)13-14-10;/h12H,3-7H2,1-2H3,(H,13,14);1H
• InChIKey: MKWQVZYYUPJYAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562291
• PubChem SID: 162053831
• PubChem CID: 56831965

CALCULATED PROPERTIES

• Acid pKa: 12.848239
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7401867
• LogD (pH = 7.4): -1.0318497
• Log P: -0.035574537
• Molar Refractivity: 64.2879 cm^3
• Polarizability: 23.596735 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false