Basic information
- CAS
126571-48-0- Standard SMILES
CC(=O)c1cnn2c1CCCC2- InChIKey
PMTKHIBVGPJZPL-UHFFFAOYSA-N- Molecular formula
- C9H12N2O
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.09496301
Names & identifiers
- Preferred name
- 1-(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridin-3-yl)ethanone
- IUPAC
- 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)ethanone
- English name
- Ethanone, 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)- (9CI)
- Molecular formula
- C9H12N2O
- Molecular weight
- 164.2
Names & synonyms
126571-48-01-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)ethanoneEthanone, 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)- (9CI)1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-3-yl}ethan-1-one3-acetyl-4,5,6,7-tetrahydropyrazolo[2,3-a]pyridineSCHEMBL7963679PMTKHIBVGPJZPL-UHFFFAOYSA-NBFA57148AKOS023622852AT55130DB-276076EN300-261216
Show more names
Z12554591071-(4,5,6,7-Tetrahydro-pyrazolo[1,5-a]pyridin-3-yl)-ethanoneEthanone, 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1-(4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIDIN-3-YL)ETHAN-1-ONE
Database identifiers
- CAS
126571-48-0- PubChem CID
- 14435009
- EC Number
- 116-617-4
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 321.7 · 321.7±30.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 0.37 · 0.37±0.20(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
武汉德克瑞生物医药科技有限公司027-69573188 18221423799 · [email protected]
Related reactions
2 records
Compound notes
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