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

C11H12F3N3 — CID 12031640

IUPAC2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1cc2nccc(C(F)(F)F)n2n1
InChIInChI=1S/C11H12F3N3/c1-10(2,3)7-6-9-15-5-4-8(11(12,13)14)17(9)16-7/h4-6H,1-3H3
InChIKeyBSIBEZTVGLXOPW-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.05
Rot. Bonds

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

2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 12031640) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID12031640
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC Name2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1cc2nccc(C(F)(F)F)n2n1
InChIInChI=1S/C11H12F3N3/c1-10(2,3)7-6-9-15-5-4-8(11(12,13)14)17(9)16-7/h4-6H,1-3H3
InChIKeyBSIBEZTVGLXOPW-UHFFFAOYSA-N
XLogP3.05
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazolo(1,5-a)pyrimidine, 5,7-dimethyl-
CID 215186
2-[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylpyrazol-3-yl]-2-methylpropanenitrile
CID 72191820
7-Cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1485518
7-Cyclopropyl-3-methylpyrazolo[1,5-a]pyrimidine
CID 1485522
7-Amino-2-(tert-butyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819026
3,5,7-Trimethylpyrazolo[1,5-a]pyrimidine
CID 18684975
5,7-Dimethyl 3-fluoro pyrazolo[1,5-a]pyrimidine
CID 20324958
3-methyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 75201524
7-Amino-5-n-butylpyrazolo[1,5-a]pyrimidine
CID 19709702
2-(Tert-butyl)-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2821672
5-Tert-butyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 2925368
5-Methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2821597

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 12031640) is 2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is CC(C)(C)c1cc2nccc(C(F)(F)F)n2n1.
What is the InChIKey of 2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is BSIBEZTVGLXOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3/c1-10(2,3)7-6-9-15-5-4-8(11(12,13)14)17(9)16-7/h4-6H,1-3H3.
What are the key properties of 2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 243.23 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 12031640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).