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

• ChemBase ID: 49551
• Molecular Formular: C10H17ClN4O2
• Molecular Mass: 260.72058
• Monoisotopic Mass: 260.10400348
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)NCCCO.Cl
• Canonical SMILES: OCCCNC(=O)c1n[nH]c2c1CNCC2.Cl
• InChI: InChI=1S/C10H16N4O2.ClH/c15-5-1-3-12-10(16)9-7-6-11-4-2-8(7)13-14-9;/h11,15H,1-6H2,(H,12,16)(H,13,14);1H
• InChIKey: LNXZLTNEZXJTAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562539
• PubChem SID: 162054314
• PubChem CID: 56832101

CALCULATED PROPERTIES

• Acid pKa: 11.875429
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -4.3081155
• LogD (pH = 7.4): -2.5999093
• Log P: -1.6030087
• Molar Refractivity: 61.0517 cm^3
• Polarizability: 22.419867 Å^3
• Polar Surface Area: 90.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false