N-ethyl-N-(2-hydroxyethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride

• ChemBase ID: 49074
• Molecular Formular: C11H19ClN4O2
• Molecular Mass: 274.74716
• Monoisotopic Mass: 274.11965355
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)N(CCO)CC.Cl
• Canonical SMILES: OCCN(C(=O)c1n[nH]c2c1CNCC2)CC.Cl
• InChI: InChI=1S/C11H18N4O2.ClH/c1-2-15(5-6-16)11(17)10-8-7-12-4-3-9(8)13-14-10;/h12,16H,2-7H2,1H3,(H,13,14);1H
• InChIKey: JGAONERSVXDTCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-(2-hydroxyethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride
• IUPAC Traditional name: N-ethyl-N-(2-hydroxyethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride
• Synonyms: N-Ethyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562297
• PubChem SID: 162053837
• PubChem CID: 56831974

CALCULATED PROPERTIES

• Acid pKa: 12.844734
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.7870774
• LogD (pH = 7.4): -2.0787356
• Log P: -1.0824845
• Molar Refractivity: 65.8316 cm^3
• Polarizability: 24.249393 Å^3
• Polar Surface Area: 81.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false