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

• ChemBase ID: 550168
• Molecular Formular: C13H19N3O2
• Molecular Mass: 249.30886
• Monoisotopic Mass: 249.14772686
• SMILES: c1(nn(c2c1CNCC2)CC1CC1)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1nn(c2c1CNCC2)CC1CC1
• InChI: InChI=1S/C13H19N3O2/c1-2-18-13(17)12-10-7-14-6-5-11(10)16(15-12)8-9-3-4-9/h9,14H,2-8H2,1H3
• InChIKey: CCIOOGYMOVHSIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2449638
• LogD (pH = 7.4): 0.46670595
• Log P: 1.0173554
• Molar Refractivity: 79.8508 cm^3
• Polarizability: 26.22623 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.56
• LOG S: -0.49
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5