5-amino-N-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H11F3N6O2 — CID 66676727

About 5-amino-N-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-amino-N-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66676727) has the molecular formula C17H11F3N6O2 and a molecular weight of 388.31 g/mol. Its IUPAC name is 5-amino-N-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 66676727
• Molecular Formula: C17H11F3N6O2
• Molecular Weight: 388.31 g/mol
• Exact Mass: 388.09
• IUPAC Name: 5-amino-N-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Nc1ccn2ncc(C(=O)Nc3cnoc3-c3ccccc3C(F)(F)F)c2n1
• InChI: InChI=1S/C17H11F3N6O2/c18-17(19,20)11-4-2-1-3-9(11)14-12(8-23-28-14)24-16(27)10-7-22-26-6-5-13(21)25-15(10)26/h1-8H,(H2,21,25)(H,24,27)
• InChIKey: QWEXSNRLKVOVTF-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 111.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.31
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-amino-N-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66676727) is 5-amino-N-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-amino-N-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-amino-N-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1ccn2ncc(C(=O)Nc3cnoc3-c3ccccc3C(F)(F)F)c2n1.

What is the InChIKey of 5-amino-N-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is QWEXSNRLKVOVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6O2/c18-17(19,20)11-4-2-1-3-9(11)14-12(8-23-28-14)24-16(27)10-7-22-26-6-5-13(21)25-15(10)26/h1-8H,(H2,21,25)(H,24,27).

What are the key properties of 5-amino-N-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-amino-N-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 388.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66676727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).