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

• ChemBase ID: 429653
• Molecular Formular: C11H17N3O2
• Molecular Mass: 223.27158
• Monoisotopic Mass: 223.1320768
• SMILES: c1(c2c(n(n1)CC)CCNC2)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1nn(c2c1CNCC2)CC
• InChI: InChI=1S/C11H17N3O2/c1-3-14-9-5-6-12-7-8(9)10(13-14)11(15)16-4-2/h12H,3-7H2,1-2H3
• InChIKey: YYPNIVLSDOUUFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 1
• Log P: 0.19
• LOG S: 0.02
• Polar Surface Area: 56.15 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6690476
• LogD (pH = 7.4): 0.042683266
• Log P: 0.5935861
• Molar Refractivity: 72.6574 cm^3
• Polarizability: 23.275743 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 4