4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

C13H10F3N3O — CID 135636067

IUPAC4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESO=C1CC(c2cccc(C(F)(F)F)c2)c2cn[nH]c2N1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)8-3-1-2-7(4-8)9-5-11(20)18-12-10(9)6-17-19-12/h1-4,6,9H,5H2,(H2,17,18,19,20)
InChIKeyHSPSICMNOAPCBV-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.90
Rot. Bonds1

About 4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (PubChem CID 135636067) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
PubChem CID135636067
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESO=C1CC(c2cccc(C(F)(F)F)c2)c2cn[nH]c2N1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)8-3-1-2-7(4-8)9-5-11(20)18-12-10(9)6-17-19-12/h1-4,6,9H,5H2,(H2,17,18,19,20)
InChIKeyHSPSICMNOAPCBV-UHFFFAOYSA-N
XLogP2.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (CID 135636067) is 4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is O=C1CC(c2cccc(C(F)(F)F)c2)c2cn[nH]c2N1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The InChIKey is HSPSICMNOAPCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-13(15,16)8-3-1-2-7(4-8)9-5-11(20)18-12-10(9)6-17-19-12/h1-4,6,9H,5H2,(H2,17,18,19,20).
What are the key properties of 4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one has a molecular weight of 281.24 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135636067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).