1-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

• ChemBase ID: 309575
• Molecular Formular: C10H15N3O2
• Molecular Mass: 209.245
• Monoisotopic Mass: 209.11642674
• SMILES: c1(c2c(n(n1)C(C)C)CCNC2)C(=O)O
• Canonical SMILES: OC(=O)c1nn(c2c1CNCC2)C(C)C
• InChI: InChI=1S/C10H15N3O2/c1-6(2)13-8-3-4-11-5-7(8)9(12-13)10(14)15/h6,11H,3-5H2,1-2H3,(H,14,15)
• InChIKey: FIVYOYKXMCXQOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1256643-50-1
• MDL Number: MFCD18381932

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.9649556
• LogD (pH = 7.4): -1.9835267
• Log P: -1.9648062
• Molar Refractivity: 67.5585 cm^3
• Polarizability: 21.198048 Å^3
• Polar Surface Area: 67.15 Å^2