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

• ChemBase ID: 49837
• Molecular Formular: C14H17ClN4O
• Molecular Mass: 292.76398
• Monoisotopic Mass: 292.10908886
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)Nc1c(C)cccc1.Cl
• Canonical SMILES: O=C(c1n[nH]c2c1CNCC2)Nc1ccccc1C.Cl
• InChI: InChI=1S/C14H16N4O.ClH/c1-9-4-2-3-5-11(9)16-14(19)13-10-8-15-7-6-12(10)17-18-13;/h2-5,15H,6-8H2,1H3,(H,16,19)(H,17,18);1H
• InChIKey: FMHBEXMYPPVGJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562715
• PubChem SID: 162054600
• PubChem CID: 56832195

CALCULATED PROPERTIES

• Acid pKa: 10.203945
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.1444237
• LogD (pH = 7.4): 0.5637428
• Log P: 1.4441466
• Molar Refractivity: 76.4936 cm^3
• Polarizability: 27.760578 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