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

• ChemBase ID: 49863
• Molecular Formular: C14H17ClN4O
• Molecular Mass: 292.76398
• Monoisotopic Mass: 292.10908886
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)Nc1cc(ccc1)C.Cl
• Canonical SMILES: Cc1cccc(c1)NC(=O)c1n[nH]c2c1CNCC2.Cl
• InChI: InChI=1S/C14H16N4O.ClH/c1-9-3-2-4-10(7-9)16-14(19)13-11-8-15-6-5-12(11)17-18-13;/h2-4,7,15H,5-6,8H2,1H3,(H,16,19)(H,17,18);1H
• InChIKey: AGGIFRBNLDZSEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562734
• PubChem SID: 162054626
• PubChem CID: 56832206

CALCULATED PROPERTIES

• Acid pKa: 10.227028
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.1444381
• LogD (pH = 7.4): 0.5637764
• Log P: 1.4455941
• Molar Refractivity: 76.4936 cm^3
• Polarizability: 27.760042 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