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

• ChemBase ID: 49084
• Molecular Formular: C13H23ClN4O
• Molecular Mass: 286.80092
• Monoisotopic Mass: 286.15603906
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)N(CCC)CCC.Cl
• Canonical SMILES: CCCN(C(=O)c1n[nH]c2c1CNCC2)CCC.Cl
• InChI: InChI=1S/C13H22N4O.ClH/c1-3-7-17(8-4-2)13(18)12-10-9-14-6-5-11(10)15-16-12;/h14H,3-9H2,1-2H3,(H,15,16);1H
• InChIKey: KFOBGPIBQHQMMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562307
• PubChem SID: 162053847
• PubChem CID: 56831993

CALCULATED PROPERTIES

• Acid pKa: 12.847681
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6951379
• LogD (pH = 7.4): 0.013200116
• Log P: 1.0094702
• Molar Refractivity: 73.3359 cm^3
• Polarizability: 27.27143 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false