4-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine

C15H13F3N4OS — CID 134852627

IUPAC4-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
SMILESFC(F)(F)c1cc(N2CCOCC2)nc2cc(-c3cccs3)nn12
InChIInChI=1S/C15H13F3N4OS/c16-15(17,18)12-9-13(21-3-5-23-6-4-21)19-14-8-10(20-22(12)14)11-2-1-7-24-11/h1-2,7-9H,3-6H2
InChIKeyZTPPVWVFJYNZFF-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.31
Rot. Bonds2

About 4-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine

4-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine (PubChem CID 134852627) has the molecular formula C15H13F3N4OS and a molecular weight of 354.36 g/mol. Its IUPAC name is 4-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
PubChem CID134852627
Molecular FormulaC15H13F3N4OS
Molecular Weight354.36 g/mol
Exact Mass354.08
IUPAC Name4-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
SMILESFC(F)(F)c1cc(N2CCOCC2)nc2cc(-c3cccs3)nn12
InChIInChI=1S/C15H13F3N4OS/c16-15(17,18)12-9-13(21-3-5-23-6-4-21)19-14-8-10(20-22(12)14)11-2-1-7-24-11/h1-2,7-9H,3-6H2
InChIKeyZTPPVWVFJYNZFF-UHFFFAOYSA-N
XLogP3.31
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
The IUPAC name of 4-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine (CID 134852627) is 4-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine.
What is the SMILES notation for 4-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
The canonical SMILES for 4-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine is FC(F)(F)c1cc(N2CCOCC2)nc2cc(-c3cccs3)nn12.
What is the InChIKey of 4-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
The InChIKey is ZTPPVWVFJYNZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4OS/c16-15(17,18)12-9-13(21-3-5-23-6-4-21)19-14-8-10(20-22(12)14)11-2-1-7-24-11/h1-2,7-9H,3-6H2.
What are the key properties of 4-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
4-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine has a molecular weight of 354.36 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine is sourced from PubChem (CID 134852627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).