5-tert-butyl-2-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C17H15ClF3N3 — CID 1282231

IUPAC5-tert-butyl-2-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1cc(C(F)(F)F)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C17H15ClF3N3/c1-16(2,3)13-9-14(17(19,20)21)24-15(22-13)8-12(23-24)10-4-6-11(18)7-5-10/h4-9H,1-3H3
InChIKeySONQCNNLQMXYIQ-UHFFFAOYSA-N
MW353.78 g/mol
LogP5.37
Rot. Bonds1

About 5-tert-butyl-2-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-tert-butyl-2-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 1282231) has the molecular formula C17H15ClF3N3 and a molecular weight of 353.78 g/mol. Its IUPAC name is 5-tert-butyl-2-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-2-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID1282231
Molecular FormulaC17H15ClF3N3
Molecular Weight353.78 g/mol
Exact Mass353.09
IUPAC Name5-tert-butyl-2-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1cc(C(F)(F)F)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C17H15ClF3N3/c1-16(2,3)13-9-14(17(19,20)21)24-15(22-13)8-12(23-24)10-4-6-11(18)7-5-10/h4-9H,1-3H3
InChIKeySONQCNNLQMXYIQ-UHFFFAOYSA-N
XLogP5.37
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.78
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-tert-butyl-2-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 1282231) is 5-tert-butyl-2-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-tert-butyl-2-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-tert-butyl-2-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is CC(C)(C)c1cc(C(F)(F)F)n2nc(-c3ccc(Cl)cc3)cc2n1.
What is the InChIKey of 5-tert-butyl-2-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is SONQCNNLQMXYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3/c1-16(2,3)13-9-14(17(19,20)21)24-15(22-13)8-12(23-24)10-4-6-11(18)7-5-10/h4-9H,1-3H3.
What are the key properties of 5-tert-butyl-2-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-tert-butyl-2-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 353.78 g/mol, XLogP of 5.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1282231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).