N-[2-(dimethylamino)ethyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide dihydrochloride

• ChemBase ID: 49603
• Molecular Formular: C11H21Cl2N5O
• Molecular Mass: 310.22334
• Monoisotopic Mass: 309.11231568
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)NCCN(C)C.Cl.Cl
• Canonical SMILES: CN(CCNC(=O)c1n[nH]c2c1CNCC2)C.Cl.Cl
• InChI: InChI=1S/C11H19N5O.2ClH/c1-16(2)6-5-13-11(17)10-8-7-12-4-3-9(8)14-15-10;;/h12H,3-7H2,1-2H3,(H,13,17)(H,14,15);2*1H
• InChIKey: LBGZZDTXPHLGFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide dihydrochloride
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide dihydrochloride
• Synonyms: N-[2-(Dimethylamino)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide dihydrochloride

Database IDs

• MDL Number: MFCD13562569
• PubChem SID: 162054366
• PubChem CID: 56832118

CALCULATED PROPERTIES

• Acid pKa: 11.874163
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -6.5470695
• LogD (pH = 7.4): -3.0902767
• Log P: -0.95422196
• Molar Refractivity: 67.9131 cm^3
• Polarizability: 25.125996 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false