1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C9H10F3N3O — CID 59908913

IUPAC1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCN1CCc2c(C(F)(F)F)nn(C)c2C1=O
InChIInChI=1S/C9H10F3N3O/c1-14-4-3-5-6(8(14)16)15(2)13-7(5)9(10,11)12/h3-4H2,1-2H3
InChIKeyIJAHMLXXHXBZIM-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.07
Rot. Bonds

About 1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 59908913) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID59908913
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCN1CCc2c(C(F)(F)F)nn(C)c2C1=O
InChIInChI=1S/C9H10F3N3O/c1-14-4-3-5-6(8(14)16)15(2)13-7(5)9(10,11)12/h3-4H2,1-2H3
InChIKeyIJAHMLXXHXBZIM-UHFFFAOYSA-N
XLogP1.07
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 59908913) is 1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is CN1CCc2c(C(F)(F)F)nn(C)c2C1=O.
What is the InChIKey of 1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is IJAHMLXXHXBZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-14-4-3-5-6(8(14)16)15(2)13-7(5)9(10,11)12/h3-4H2,1-2H3.
What are the key properties of 1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 233.19 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 59908913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).