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

C12H16F3N3 — CID 136841112

IUPAC2-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)C1CCNc2cc(C3CCCC3)nn21
InChIInChI=1S/C12H16F3N3/c13-12(14,15)10-5-6-16-11-7-9(17-18(10)11)8-3-1-2-4-8/h7-8,10,16H,1-6H2
InChIKeyGNKKNADIHKPZOU-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.46
Rot. Bonds1

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

2-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841112) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841112
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name2-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)C1CCNc2cc(C3CCCC3)nn21
InChIInChI=1S/C12H16F3N3/c13-12(14,15)10-5-6-16-11-7-9(17-18(10)11)8-3-1-2-4-8/h7-8,10,16H,1-6H2
InChIKeyGNKKNADIHKPZOU-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841112) is 2-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is FC(F)(F)C1CCNc2cc(C3CCCC3)nn21.
What is the InChIKey of 2-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is GNKKNADIHKPZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c13-12(14,15)10-5-6-16-11-7-9(17-18(10)11)8-3-1-2-4-8/h7-8,10,16H,1-6H2.
What are the key properties of 2-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 259.27 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).