5-(chloromethyl)-3-(naphthalen-1-yl)-2-(trifluoromethyl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
Basic information
- CAS
1259536-70-3- Standard SMILES
O=c1cc(CCl)nc2c(-c3cccc4ccccc34)c(C(F)(F)F)[nH]n12- InChIKey
RDXPGBXYEGTHBJ-UHFFFAOYSA-N- Molecular formula
- C18H11ClF3N3O
- Average molar mass
- 377.7 g/mol
- Monoisotopic mass
- 377.0542742
Names & identifiers
- Preferred name
- 5-(chloromethyl)-3-(naphthalen-1-yl)-2-(trifluoromethyl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
- IUPAC
- 5-(chloromethyl)-3-naphthalen-1-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
- English name
- QO-40
- Molecular formula
- C18H11ClF3N3O
- Molecular weight
- 377.75
Names & synonyms
1259536-70-35-(chloromethyl)-3-(naphthalen-1-yl)-2-(trifluoromethyl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one5-(chloromethyl)-3-(naphthalen-1-yl)-2-(trifluoromethyl)-4H,7H-pyrazolo(1,5-a)pyrimidin-7-oneRefChem:531006873-196-6QO-405-(Chloromethyl)-3-(naphthalen-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7(4H)-oneCHEMBL16896525-(chloromethyl)-3-naphthalen-1-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-oneorb1220151orb1298927SCHEMBL1278758
Show more names
QO 40,QO40QO-40, 10 mM in DMSO5-(CHLOROMETHYL)-3-(NAPHTHA LEN-1-YL)-2-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDIN-7(4H)-ONEPyrazolo[1,5-a]pyrimidin-7(4H)-one, 5-(chloromethyl)-3-(1-naphthalenyl)-2-(trifluoromethyl)-
RDXPGBXYEGTHBJ-UHFFFAOYSA-NGLXC-07001JAC53670BDBM50339279EBC-08038TS-09806HY-130070CS-0104751
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 713
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- Boiling point
- 500.6 · 500.6±60.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- form
- Solid
- pka
- -4.08 · -4.08±0.40(Predicted)
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H302-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H302-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
DescriptionQO-40 is an activator of KCNQ2/3 potassium channels.
UsesQO-40 is a pyrazolo[1,5-a]pyrimidine-7(4H)-one (PPO) derivative and an activator of the voltage-gated M-type potassium channel KCNQ encoded by the KCNQ2/3 gene (EC50: 1.25 μM)[1][2].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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