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

• ChemBase ID: 49088
• Molecular Formular: C15H25ClN4O
• Molecular Mass: 312.8382
• Monoisotopic Mass: 312.17168912
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)N(C1CCCCC1)CC.Cl
• Canonical SMILES: CCN(C(=O)c1n[nH]c2c1CNCC2)C1CCCCC1.Cl
• InChI: InChI=1S/C15H24N4O.ClH/c1-2-19(11-6-4-3-5-7-11)15(20)14-12-10-16-9-8-13(12)17-18-14;/h11,16H,2-10H2,1H3,(H,17,18);1H
• InChIKey: QLOJGZLYLHMNGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562311
• PubChem SID: 162053851
• PubChem CID: 56832000

CALCULATED PROPERTIES

• Acid pKa: 12.843614
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2976788
• LogD (pH = 7.4): 0.41067
• Log P: 1.406888
• Molar Refractivity: 80.5535 cm^3
• Polarizability: 30.224754 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