Basic information
- CAS
312935-11-8- Standard SMILES
O=C(NC1CCCCC1)c1nn2c(c1Cl)NC(c1cccs1)CC2C(F)(F)F- InChIKey
QGXLRPBMOJPXQK-UHFFFAOYSA-N- Molecular formula
- C18H20ClF3N4OS
- Average molar mass
- 432.9 g/mol
- Monoisotopic mass
- 432.0998446
Names & identifiers
- Preferred name
- 3-chloro-N-cyclohexyl-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 3-chloro-N-cyclohexyl-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- English name
- 3-chloro-N-cyclohexyl-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- Molecular formula
- C18H20ClF3N4OS
- Molecular weight
- 432.89
Names & synonyms
312935-11-83-chloro-N-cyclohexyl-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine-2-carboxamide3-CHLORO-N-CYCLOHEXYL-5-(THIOPHEN-2-YL)-7-(TRIFLUOROMETHYL)-4H,5H,6H,7H-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDERefChem:500432103-143-83-chloro-N-cyclohexyl-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide3-chloro-N-cyclohexyl-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamideAKOS000559861AKOS022137040AK-968/153591753-chloro-N-cyclohexyl-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamidePyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-chloro-N-cyclohexyl-4,5,6,7-tetrahydro-5-(2-thienyl)-7-(trifluoromethyl)-
Database identifiers
- CAS
312935-11-8- PubChem CID
- 3133754
- EC Number
- 103-143-8
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 578
Physicochemical properties
- Boiling point
- 562.9 · 562.9±50.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 13.02 · 13.02±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
北京科易通达科技发展有限公司17743531240 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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