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

• ChemBase ID: 49087
• Molecular Formular: C15H19ClN4O
• Molecular Mass: 306.79056
• Monoisotopic Mass: 306.12473893
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)N(Cc1ccccc1)C.Cl
• Canonical SMILES: CN(C(=O)c1n[nH]c2c1CNCC2)Cc1ccccc1.Cl
• InChI: InChI=1S/C15H18N4O.ClH/c1-19(10-11-5-3-2-4-6-11)15(20)14-12-9-16-8-7-13(12)17-18-14;/h2-6,16H,7-10H2,1H3,(H,17,18);1H
• InChIKey: ATRDVNKGKHNHFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562310
• PubChem SID: 162053850
• PubChem CID: 56831998

CALCULATED PROPERTIES

• Acid pKa: 12.846222
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7293144
• LogD (pH = 7.4): -0.020973561
• Log P: 0.97528267
• Molar Refractivity: 79.4033 cm^3
• Polarizability: 29.491562 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false