ethyl 4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-2-carboxylate

• ChemBase ID: 53074
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C1Cn2c(CC1)cc(n2)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cc2n(n1)CCCC2
• InChI: InChI=1S/C10H14N2O2/c1-2-14-10(13)9-7-8-5-3-4-6-12(8)11-9/h7H,2-6H2,1H3
• InChIKey: RLYRMESNENRMHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-2-carboxylate
• Synonyms: Ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate

Database IDs

• CAS Number: 307307-84-2
• MDL Number: MFCD11975790
• PubChem SID: 162057837
• PubChem CID: 11845784

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6403599
• LogD (pH = 7.4): 1.6403606
• Log P: 1.6403606
• Molar Refractivity: 63.9064 cm^3
• Polarizability: 19.917171 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%