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

• ChemBase ID: 50018
• Molecular Formular: C13H14ClFN4O
• Molecular Mass: 296.7278632
• Monoisotopic Mass: 296.08401699
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)Nc1ccc(F)cc1.Cl
• Canonical SMILES: Fc1ccc(cc1)NC(=O)c1n[nH]c2c1CNCC2.Cl
• InChI: InChI=1S/C13H13FN4O.ClH/c14-8-1-3-9(4-2-8)16-13(19)12-10-7-15-6-5-11(10)17-18-12;/h1-4,15H,5-7H2,(H,16,19)(H,17,18);1H
• InChIKey: WYWOLZCHLKQZIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562832
• PubChem SID: 162054781
• PubChem CID: 56832262

CALCULATED PROPERTIES

• Acid pKa: 10.00725
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.5150027
• LogD (pH = 7.4): 0.19261709
• Log P: 1.0575144
• Molar Refractivity: 71.6688 cm^3
• Polarizability: 25.6974 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