1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one

C14H12F6N2O3 — CID 134286734

IUPAC1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
SMILESCCC(=O)c1cnn2cc(OCC(O)(C(F)(F)F)C(F)(F)F)ccc12
InChIInChI=1S/C14H12F6N2O3/c1-2-11(23)9-5-21-22-6-8(3-4-10(9)22)25-7-12(24,13(15,16)17)14(18,19)20/h3-6,24H,2,7H2,1H3
InChIKeyKMAMMSPABOYDGH-UHFFFAOYSA-N
MW370.25 g/mol
LogP3.16
Rot. Bonds5

About 1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one

1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one (PubChem CID 134286734) has the molecular formula C14H12F6N2O3 and a molecular weight of 370.25 g/mol. Its IUPAC name is 1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
PubChem CID134286734
Molecular FormulaC14H12F6N2O3
Molecular Weight370.25 g/mol
Exact Mass370.08
IUPAC Name1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
SMILESCCC(=O)c1cnn2cc(OCC(O)(C(F)(F)F)C(F)(F)F)ccc12
InChIInChI=1S/C14H12F6N2O3/c1-2-11(23)9-5-21-22-6-8(3-4-10(9)22)25-7-12(24,13(15,16)17)14(18,19)20/h3-6,24H,2,7H2,1H3
InChIKeyKMAMMSPABOYDGH-UHFFFAOYSA-N
XLogP3.16
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one?
The IUPAC name of 1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one (CID 134286734) is 1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one.
What is the SMILES notation for 1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one?
The canonical SMILES for 1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one is CCC(=O)c1cnn2cc(OCC(O)(C(F)(F)F)C(F)(F)F)ccc12.
What is the InChIKey of 1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one?
The InChIKey is KMAMMSPABOYDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F6N2O3/c1-2-11(23)9-5-21-22-6-8(3-4-10(9)22)25-7-12(24,13(15,16)17)14(18,19)20/h3-6,24H,2,7H2,1H3.
What are the key properties of 1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one?
1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one has a molecular weight of 370.25 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one is sourced from PubChem (CID 134286734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).