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

C17H11F3N6O2 — CID 46191285

IUPACN-(1,2-oxazol-3-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccon1)c1cnn2ccc(Nc3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C17H11F3N6O2/c18-17(19,20)10-2-1-3-11(8-10)22-13-4-6-26-15(23-13)12(9-21-26)16(27)24-14-5-7-28-25-14/h1-9H,(H,22,23)(H,24,25,27)
InChIKeyGXYJOXHZSBTTIW-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.73
Rot. Bonds4

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

N-(1,2-oxazol-3-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46191285) has the molecular formula C17H11F3N6O2 and a molecular weight of 388.31 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID46191285
Molecular FormulaC17H11F3N6O2
Molecular Weight388.31 g/mol
Exact Mass388.09
IUPAC NameN-(1,2-oxazol-3-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccon1)c1cnn2ccc(Nc3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C17H11F3N6O2/c18-17(19,20)10-2-1-3-11(8-10)22-13-4-6-26-15(23-13)12(9-21-26)16(27)24-14-5-7-28-25-14/h1-9H,(H,22,23)(H,24,25,27)
InChIKeyGXYJOXHZSBTTIW-UHFFFAOYSA-N
XLogP3.73
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46191285) is N-(1,2-oxazol-3-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccon1)c1cnn2ccc(Nc3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of N-(1,2-oxazol-3-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GXYJOXHZSBTTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6O2/c18-17(19,20)10-2-1-3-11(8-10)22-13-4-6-26-15(23-13)12(9-21-26)16(27)24-14-5-7-28-25-14/h1-9H,(H,22,23)(H,24,25,27).
What are the key properties of N-(1,2-oxazol-3-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1,2-oxazol-3-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 388.31 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46191285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).