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

• ChemBase ID: 49370
• Molecular Formular: C10H17ClN4O
• Molecular Mass: 244.72118
• Monoisotopic Mass: 244.10908886
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)NC(C)C.Cl
• Canonical SMILES: CC(NC(=O)c1n[nH]c2c1CNCC2)C.Cl
• InChI: InChI=1S/C10H16N4O.ClH/c1-6(2)12-10(15)9-7-5-11-4-3-8(7)13-14-9;/h6,11H,3-5H2,1-2H3,(H,12,15)(H,13,14);1H
• InChIKey: MRKCXFHMGSBFQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride
• IUPAC Traditional name: N-isopropyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride
• Synonyms: N-Isopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]-pyridine-3-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562414
• PubChem SID: 162054133
• PubChem CID: 56832030

CALCULATED PROPERTIES

• Acid pKa: 11.872372
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.904552
• LogD (pH = 7.4): -1.1963356
• Log P: -0.19948353
• Molar Refractivity: 59.0614 cm^3
• Polarizability: 21.761509 Å^3
• Polar Surface Area: 69.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false