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

C12H14F3N3O — CID 2821858

IUPAC2-tert-butyl-7-methoxy-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(C(F)(F)F)nc2cc(C(C)(C)C)nn12
InChIInChI=1S/C12H14F3N3O/c1-11(2,3)7-5-9-16-8(12(13,14)15)6-10(19-4)18(9)17-7/h5-6H,1-4H3
InChIKeyUIPKQRNLOBJVHW-UHFFFAOYSA-N
MW273.26 g/mol
LogP3.05
Rot. Bonds1

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

2-tert-butyl-7-methoxy-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 2821858) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-tert-butyl-7-methoxy-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-methoxy-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID2821858
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name2-tert-butyl-7-methoxy-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(C(F)(F)F)nc2cc(C(C)(C)C)nn12
InChIInChI=1S/C12H14F3N3O/c1-11(2,3)7-5-9-16-8(12(13,14)15)6-10(19-4)18(9)17-7/h5-6H,1-4H3
InChIKeyUIPKQRNLOBJVHW-UHFFFAOYSA-N
XLogP3.05
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-methoxy-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-tert-butyl-7-methoxy-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 2821858) is 2-tert-butyl-7-methoxy-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-methoxy-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-methoxy-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is COc1cc(C(F)(F)F)nc2cc(C(C)(C)C)nn12.
What is the InChIKey of 2-tert-butyl-7-methoxy-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is UIPKQRNLOBJVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-11(2,3)7-5-9-16-8(12(13,14)15)6-10(19-4)18(9)17-7/h5-6H,1-4H3.
What are the key properties of 2-tert-butyl-7-methoxy-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-tert-butyl-7-methoxy-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 273.26 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-methoxy-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2821858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).