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

C7H5F3N4 — CID 86276682

IUPAC3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-amine
SMILESNc1cnc2c(C(F)(F)F)cnn2c1
InChIInChI=1S/C7H5F3N4/c8-7(9,10)5-2-13-14-3-4(11)1-12-6(5)14/h1-3H,11H2
InChIKeySUFFTINCMLBHKM-UHFFFAOYSA-N
MW202.14 g/mol
LogP1.33
Rot. Bonds

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

3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-amine (PubChem CID 86276682) has the molecular formula C7H5F3N4 and a molecular weight of 202.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-amine
PubChem CID86276682
Molecular FormulaC7H5F3N4
Molecular Weight202.14 g/mol
Exact Mass202.05
IUPAC Name3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-amine
SMILESNc1cnc2c(C(F)(F)F)cnn2c1
InChIInChI=1S/C7H5F3N4/c8-7(9,10)5-2-13-14-3-4(11)1-12-6(5)14/h1-3H,11H2
InChIKeySUFFTINCMLBHKM-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 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-amine (CID 86276682) is 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-amine is Nc1cnc2c(C(F)(F)F)cnn2c1.
What is the InChIKey of 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-amine?
The InChIKey is SUFFTINCMLBHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4/c8-7(9,10)5-2-13-14-3-4(11)1-12-6(5)14/h1-3H,11H2.
What are the key properties of 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-amine?
3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-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 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 86276682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).