2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C13H17F3N4 — CID 2821857

IUPAC2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(C)c1cc(C(F)(F)F)nc2cc(C(C)(C)C)nn12
InChIInChI=1S/C13H17F3N4/c1-12(2,3)8-6-10-17-9(13(14,15)16)7-11(19(4)5)20(10)18-8/h6-7H,1-5H3
InChIKeyGMDHLEIANIEZMT-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.11
Rot. Bonds1

About 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 2821857) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID2821857
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(C)c1cc(C(F)(F)F)nc2cc(C(C)(C)C)nn12
InChIInChI=1S/C13H17F3N4/c1-12(2,3)8-6-10-17-9(13(14,15)16)7-11(19(4)5)20(10)18-8/h6-7H,1-5H3
InChIKeyGMDHLEIANIEZMT-UHFFFAOYSA-N
XLogP3.11
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 2821857) is 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CN(C)c1cc(C(F)(F)F)nc2cc(C(C)(C)C)nn12.
What is the InChIKey of 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GMDHLEIANIEZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c1-12(2,3)8-6-10-17-9(13(14,15)16)7-11(19(4)5)20(10)18-8/h6-7H,1-5H3.
What are the key properties of 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 286.30 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 2821857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).