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

• ChemBase ID: 49759
• Molecular Formular: C13H21ClN4O
• Molecular Mass: 284.78504
• Monoisotopic Mass: 284.14038899
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)NC1CCCCC1.Cl
• Canonical SMILES: O=C(c1n[nH]c2c1CNCC2)NC1CCCCC1.Cl
• InChI: InChI=1S/C13H20N4O.ClH/c18-13(15-9-4-2-1-3-5-9)12-10-8-14-7-6-11(10)16-17-12;/h9,14H,1-8H2,(H,15,18)(H,16,17);1H
• InChIKey: CINJGWJQIUUGHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562657
• PubChem SID: 162054522
• PubChem CID: 56832152

CALCULATED PROPERTIES

• Acid pKa: 11.871773
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.8786603
• LogD (pH = 7.4): -0.1704429
• Log P: 0.82640404
• Molar Refractivity: 70.9082 cm^3
• Polarizability: 26.548618 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