6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine

C7H5F3N4 — CID 84721400

IUPAC6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine
SMILESNc1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C7H5F3N4/c8-7(9,10)4-1-12-6-5(11)2-13-14(6)3-4/h1-3H,11H2
InChIKeyYDYMBPPTKQVKCI-UHFFFAOYSA-N
MW202.14 g/mol
LogP1.33
Rot. Bonds

About 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine

6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine (PubChem CID 84721400) has the molecular formula C7H5F3N4 and a molecular weight of 202.14 g/mol. Its IUPAC name is 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine
PubChem CID84721400
Molecular FormulaC7H5F3N4
Molecular Weight202.14 g/mol
Exact Mass202.05
IUPAC Name6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine
SMILESNc1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C7H5F3N4/c8-7(9,10)4-1-12-6-5(11)2-13-14(6)3-4/h1-3H,11H2
InChIKeyYDYMBPPTKQVKCI-UHFFFAOYSA-N
XLogP1.33
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine?
The IUPAC name of 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine (CID 84721400) is 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine.
What is the SMILES notation for 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine?
The canonical SMILES for 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine is Nc1cnn2cc(C(F)(F)F)cnc12.
What is the InChIKey of 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine?
The InChIKey is YDYMBPPTKQVKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4/c8-7(9,10)4-1-12-6-5(11)2-13-14(6)3-4/h1-3H,11H2.
What are the key properties of 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine?
6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine has a molecular weight of 202.14 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine is sourced from PubChem (CID 84721400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).