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

• ChemBase ID: 49066
• Molecular Formular: C9H15ClN4O
• Molecular Mass: 230.6946
• Monoisotopic Mass: 230.0934388
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)N(C)C.Cl
• Canonical SMILES: CN(C(=O)c1n[nH]c2c1CNCC2)C.Cl
• InChI: InChI=1S/C9H14N4O.ClH/c1-13(2)9(14)8-6-5-10-4-3-7(6)11-12-8;/h10H,3-5H2,1-2H3,(H,11,12);1H
• InChIKey: RQDAVHZOCNWUOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1211512-45-6
• MDL Number: MFCD13562289
• PubChem SID: 162053829
• PubChem CID: 56831962

CALCULATED PROPERTIES

• Acid pKa: 12.8562975
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4538846
• LogD (pH = 7.4): -1.745569
• Log P: -0.74919045
• Molar Refractivity: 54.7907 cm^3
• Polarizability: 19.928015 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false