2-(trifluoromethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C7H4F3N3O2 — CID 178003972

IUPAC2-(trifluoromethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1ccnc2cc(OC(F)(F)F)[nH]n12
InChIInChI=1S/C7H4F3N3O2/c8-7(9,10)15-5-3-4-11-2-1-6(14)13(4)12-5/h1-3,12H
InChIKeyQRRMCJZIYGHQGA-UHFFFAOYSA-N
MW219.12 g/mol
LogP0.92
Rot. Bonds1

About 2-(trifluoromethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(trifluoromethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 178003972) has the molecular formula C7H4F3N3O2 and a molecular weight of 219.12 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(trifluoromethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID178003972
Molecular FormulaC7H4F3N3O2
Molecular Weight219.12 g/mol
Exact Mass219.03
IUPAC Name2-(trifluoromethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1ccnc2cc(OC(F)(F)F)[nH]n12
InChIInChI=1S/C7H4F3N3O2/c8-7(9,10)15-5-3-4-11-2-1-6(14)13(4)12-5/h1-3,12H
InChIKeyQRRMCJZIYGHQGA-UHFFFAOYSA-N
XLogP0.92
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolo[1,5-a]pyrimidin-7-ol
CID 335418
5-Methoxypyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 11062736
2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-ol
CID 66974785
5-fluoro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 177088883
2-methoxy-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 178003954

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(trifluoromethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 178003972) is 2-(trifluoromethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(trifluoromethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(trifluoromethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1ccnc2cc(OC(F)(F)F)[nH]n12.
What is the InChIKey of 2-(trifluoromethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QRRMCJZIYGHQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O2/c8-7(9,10)15-5-3-4-11-2-1-6(14)13(4)12-5/h1-3,12H.
What are the key properties of 2-(trifluoromethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(trifluoromethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 219.12 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 178003972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).