[2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanamine

C8H11F3N4 — CID 135833152

IUPAC[2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanamine
SMILESNCc1c(C(F)(F)F)nn2c1NCCC2
InChIInChI=1S/C8H11F3N4/c9-8(10,11)6-5(4-12)7-13-2-1-3-15(7)14-6/h13H,1-4,12H2
InChIKeyJSDZBXGRSHLYDV-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.18
Rot. Bonds1

About [2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanamine

[2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanamine (PubChem CID 135833152) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is [2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanamine
PubChem CID135833152
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name[2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanamine
SMILESNCc1c(C(F)(F)F)nn2c1NCCC2
InChIInChI=1S/C8H11F3N4/c9-8(10,11)6-5(4-12)7-13-2-1-3-15(7)14-6/h13H,1-4,12H2
InChIKeyJSDZBXGRSHLYDV-UHFFFAOYSA-N
XLogP1.18
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanamine?
The IUPAC name of [2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanamine (CID 135833152) is [2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanamine.
What is the SMILES notation for [2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanamine?
The canonical SMILES for [2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanamine is NCc1c(C(F)(F)F)nn2c1NCCC2.
What is the InChIKey of [2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanamine?
The InChIKey is JSDZBXGRSHLYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c9-8(10,11)6-5(4-12)7-13-2-1-3-15(7)14-6/h13H,1-4,12H2.
What are the key properties of [2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanamine?
[2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanamine has a molecular weight of 220.20 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanamine is sourced from PubChem (CID 135833152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).