N-(furan-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride

• ChemBase ID: 49707
• Molecular Formular: C12H15ClN4O2
• Molecular Mass: 282.7261
• Monoisotopic Mass: 282.08835342
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)NCc1occc1.Cl
• Canonical SMILES: O=C(c1n[nH]c2c1CNCC2)NCc1ccco1.Cl
• InChI: InChI=1S/C12H14N4O2.ClH/c17-12(14-6-8-2-1-5-18-8)11-9-7-13-4-3-10(9)15-16-11;/h1-2,5,13H,3-4,6-7H2,(H,14,17)(H,15,16);1H
• InChIKey: TYJHEIMEDCCJCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride
• IUPAC Traditional name: N-(furan-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride
• Synonyms: N-(2-Furylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo-[4,3-c]pyridine-3-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562627
• PubChem SID: 162054470
• PubChem CID: 56832142

CALCULATED PROPERTIES

• Acid pKa: 11.866153
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.8931851
• LogD (pH = 7.4): -1.1849612
• Log P: -0.18814676
• Molar Refractivity: 66.8975 cm^3
• Polarizability: 24.564545 Å^3
• Polar Surface Area: 82.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false