methyl 1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylate

• ChemBase ID: 309950
• Molecular Formular: C9H13N3O2
• Molecular Mass: 195.21842
• Monoisotopic Mass: 195.10077667
• SMILES: c1(c2c(n(n1)C)CCNC2)C(=O)OC
• Canonical SMILES: COC(=O)c1nn(c2c1CNCC2)C
• InChI: InChI=1S/C9H13N3O2/c1-12-7-3-4-10-5-6(7)8(11-12)9(13)14-2/h10H,3-5H2,1-2H3
• InChIKey: MGIANVZIADBITO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylate
• IUPAC Traditional name: methyl 1-methyl-4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylate
• Synonyms: methyl 1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate

Database IDs

• MDL Number: MFCD20491795

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3846402
• LogD (pH = 7.4): -0.67252684
• Log P: -0.120029844
• Molar Refractivity: 63.1602 cm^3
• Polarizability: 19.611475 Å^3
• Polar Surface Area: 56.15 Å^2