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

• ChemBase ID: 53076
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C1Cn2c(CC1)c(cn2)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C10H14N2O2/c1-2-14-10(13)8-7-11-12-6-4-3-5-9(8)12/h7H,2-6H2,1H3
• InChIKey: UYYNSVHJHJUZRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 118055-06-4
• MDL Number: MFCD17011856
• PubChem SID: 162057839
• PubChem CID: 14145812

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4544849
• LogD (pH = 7.4): 1.45451
• Log P: 1.4545103
• Molar Refractivity: 64.2784 cm^3
• Polarizability: 19.912151 Å^3
• Polar Surface Area: 44.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%