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

• ChemBase ID: 49577
• Molecular Formular: C12H19ClN4O
• Molecular Mass: 270.75846
• Monoisotopic Mass: 270.12473893
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)NC1CCCC1.Cl
• Canonical SMILES: O=C(c1n[nH]c2c1CNCC2)NC1CCCC1.Cl
• InChI: InChI=1S/C12H18N4O.ClH/c17-12(14-8-3-1-2-4-8)11-9-7-13-6-5-10(9)15-16-11;/h8,13H,1-7H2,(H,14,17)(H,15,16);1H
• InChIKey: HZIDXWYDLJQCHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562553
• PubChem SID: 162054340
• PubChem CID: 56832111

CALCULATED PROPERTIES

• Acid pKa: 11.871773
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.323229
• LogD (pH = 7.4): -0.6150116
• Log P: 0.38183534
• Molar Refractivity: 66.3072 cm^3
• Polarizability: 24.712233 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