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

C7H4F3N3O — CID 137230937

IUPAC7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C(F)(F)F)n2nccc2[nH]1
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)4-3-6(14)12-5-1-2-11-13(4)5/h1-3H,(H,12,14)
InChIKeyLHRDTWXPRUYNIE-UHFFFAOYSA-N
MW203.12 g/mol
LogP1.04
Rot. Bonds

About 7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one

7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137230937) has the molecular formula C7H4F3N3O and a molecular weight of 203.12 g/mol. Its IUPAC name is 7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137230937
Molecular FormulaC7H4F3N3O
Molecular Weight203.12 g/mol
Exact Mass203.03
IUPAC Name7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C(F)(F)F)n2nccc2[nH]1
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)4-3-6(14)12-5-1-2-11-13(4)5/h1-3H,(H,12,14)
InChIKeyLHRDTWXPRUYNIE-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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Related Compounds

Pyrazolo[1,5-A]pyrimidine-5,7-diol
CID 135743546
4,5-Dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 12726145
Pyrazolo[1,5-a]pyrimidin-5(1H)-one
CID 135513288
7-Methylpyrazolo(1,5-a)pyrimidin-5-ol
CID 135646606
7-Aminopyrazolo[1,5-A]Pyrimidin-5-Ol
CID 135670829
2,2,2-Trifluoro-N-(1-methyl-3-pyrazolyl)acetamide
CID 19405082
N-(1-Ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide
CID 57698727
2,2,2-trifluoro-N-(1-methyl-1H-pyrazol-5-yl)acetamide
CID 75480930
N-(2-ethylpyrazol-3-yl)-2-fluoroacetamide
CID 89187445
2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5(4h)-one
CID 135741847
2-(2,2,2-trifluoroethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 136406740
2-(trifluoromethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 136439959

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137230937) is 7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C(F)(F)F)n2nccc2[nH]1.
What is the InChIKey of 7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is LHRDTWXPRUYNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O/c8-7(9,10)4-3-6(14)12-5-1-2-11-13(4)5/h1-3H,(H,12,14).
What are the key properties of 7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-(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 7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137230937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).