3-bromo-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C7H7BrF3N3 — CID 136841796

IUPAC3-bromo-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1nn2c(c1Br)NCCC2
InChIInChI=1S/C7H7BrF3N3/c8-4-5(7(9,10)11)13-14-3-1-2-12-6(4)14/h12H,1-3H2
InChIKeyJGQFOGRRHXPOSD-UHFFFAOYSA-N
MW270.05 g/mol
LogP2.48
Rot. Bonds

About 3-bromo-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

3-bromo-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841796) has the molecular formula C7H7BrF3N3 and a molecular weight of 270.05 g/mol. Its IUPAC name is 3-bromo-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841796
Molecular FormulaC7H7BrF3N3
Molecular Weight270.05 g/mol
Exact Mass268.98
IUPAC Name3-bromo-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1nn2c(c1Br)NCCC2
InChIInChI=1S/C7H7BrF3N3/c8-4-5(7(9,10)11)13-14-3-1-2-12-6(4)14/h12H,1-3H2
InChIKeyJGQFOGRRHXPOSD-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841796) is 3-bromo-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is FC(F)(F)c1nn2c(c1Br)NCCC2.
What is the InChIKey of 3-bromo-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is JGQFOGRRHXPOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3N3/c8-4-5(7(9,10)11)13-14-3-1-2-12-6(4)14/h12H,1-3H2.
What are the key properties of 3-bromo-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
3-bromo-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 270.05 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).