2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one

C7H4F3N3O — CID 135741847

IUPAC2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1ccn2nc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)4-3-5-11-6(14)1-2-13(5)12-4/h1-3H,(H,11,14)
InChIKeyQIXQRUYYZUOFNE-UHFFFAOYSA-N
MW203.12 g/mol
LogP1.04
Rot. Bonds

About 2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one

2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 135741847) has the molecular formula C7H4F3N3O and a molecular weight of 203.12 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID135741847
Molecular FormulaC7H4F3N3O
Molecular Weight203.12 g/mol
Exact Mass203.03
IUPAC Name2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1ccn2nc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)4-3-5-11-6(14)1-2-13(5)12-4/h1-3H,(H,11,14)
InChIKeyQIXQRUYYZUOFNE-UHFFFAOYSA-N
XLogP1.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 135741847) is 2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1ccn2nc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is QIXQRUYYZUOFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O/c8-7(9,10)4-3-5-11-6(14)1-2-13(5)12-4/h1-3H,(H,11,14).
What are the key properties of 2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 203.12 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135741847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).