5-tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C12H14F3N3 — CID 2971734

IUPAC5-tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(C(C)(C)C)cc(C(F)(F)F)n2n1
InChIInChI=1S/C12H14F3N3/c1-7-5-10-16-8(11(2,3)4)6-9(12(13,14)15)18(10)17-7/h5-6H,1-4H3
InChIKeyRWEBSQFLBVSXIJ-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.35
Rot. Bonds

About 5-tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 2971734) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID2971734
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name5-tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(C(C)(C)C)cc(C(F)(F)F)n2n1
InChIInChI=1S/C12H14F3N3/c1-7-5-10-16-8(11(2,3)4)6-9(12(13,14)15)18(10)17-7/h5-6H,1-4H3
InChIKeyRWEBSQFLBVSXIJ-UHFFFAOYSA-N
XLogP3.35
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-Dimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 28063903
2,5,7-Trimethylpyrazolo[1,5-a]pyrimidine
CID 3611062
2-Methyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 754722
2,5-Di-tert-butylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2060523
2,5-dimethyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine
CID 1477871
5-Tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 974687
5,7-Di(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 290557
7-(Tert-butyl)-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-2,4-diimine
CID 2801306
7-(Tert-butyl)-2-(methylthio)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 2819103
2,5-Dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 753093
2-Methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 753095
5-Methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2821597

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 2971734) is 5-tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc2nc(C(C)(C)C)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is RWEBSQFLBVSXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c1-7-5-10-16-8(11(2,3)4)6-9(12(13,14)15)18(10)17-7/h5-6H,1-4H3.
What are the key properties of 5-tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 257.26 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2971734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).