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

C7H5F2N3O — CID 135851139

IUPAC7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C(F)F)n2nccc2[nH]1
InChIInChI=1S/C7H5F2N3O/c8-7(9)4-3-6(13)11-5-1-2-10-12(4)5/h1-3,7H,(H,11,13)
InChIKeyBIVSFLOGGTUYFO-UHFFFAOYSA-N
MW185.13 g/mol
LogP0.96
Rot. Bonds1

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

7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 135851139) has the molecular formula C7H5F2N3O and a molecular weight of 185.13 g/mol. Its IUPAC name is 7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID135851139
Molecular FormulaC7H5F2N3O
Molecular Weight185.13 g/mol
Exact Mass185.04
IUPAC Name7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C(F)F)n2nccc2[nH]1
InChIInChI=1S/C7H5F2N3O/c8-7(9)4-3-6(13)11-5-1-2-10-12(4)5/h1-3,7H,(H,11,13)
InChIKeyBIVSFLOGGTUYFO-UHFFFAOYSA-N
XLogP0.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 135851139) is 7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C(F)F)n2nccc2[nH]1.
What is the InChIKey of 7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is BIVSFLOGGTUYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3O/c8-7(9)4-3-6(13)11-5-1-2-10-12(4)5/h1-3,7H,(H,11,13).
What are the key properties of 7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 185.13 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135851139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).