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

C7H4F3N3O — CID 4766781

IUPAC5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C(F)(F)F)nc2cc[nH]n12
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)4-3-6(14)13-5(12-4)1-2-11-13/h1-3,11H
InChIKeyBZZAHOPGXNDWCI-UHFFFAOYSA-N
MW203.12 g/mol
LogP1.04
Rot. Bonds

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

5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 4766781) has the molecular formula C7H4F3N3O and a molecular weight of 203.12 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID4766781
Molecular FormulaC7H4F3N3O
Molecular Weight203.12 g/mol
Exact Mass203.03
IUPAC Name5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C(F)(F)F)nc2cc[nH]n12
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)4-3-6(14)13-5(12-4)1-2-11-13/h1-3,11H
InChIKeyBZZAHOPGXNDWCI-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 5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 4766781) is 5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(C(F)(F)F)nc2cc[nH]n12.
What is the InChIKey of 5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BZZAHOPGXNDWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O/c8-7(9,10)4-3-6(14)13-5(12-4)1-2-11-13/h1-3,11H.
What are the key properties of 5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-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 5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 4766781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).