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

• ChemBase ID: 49093
• Molecular Formular: C16H21ClN4O
• Molecular Mass: 320.81714
• Monoisotopic Mass: 320.14038899
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)N(Cc1ccccc1)CC.Cl
• Canonical SMILES: CCN(C(=O)c1n[nH]c2c1CNCC2)Cc1ccccc1.Cl
• InChI: InChI=1S/C16H20N4O.ClH/c1-2-20(11-12-6-4-3-5-7-12)16(21)15-13-10-17-9-8-14(13)18-19-15;/h3-7,17H,2,8-11H2,1H3,(H,18,19);1H
• InChIKey: SNQMZEQXBFVURQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562316
• PubChem SID: 162053856
• PubChem CID: 56832009

CALCULATED PROPERTIES

• Acid pKa: 12.842169
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3724654
• LogD (pH = 7.4): 0.3358863
• Log P: 1.3320906
• Molar Refractivity: 84.1519 cm^3
• Polarizability: 31.332678 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false