1-(hydroxymethyl)-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one

C8H8F3N3O2 — CID 141413704

IUPAC1-(hydroxymethyl)-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one
SMILESO=C1NCCc2c(C(F)(F)F)nn(CO)c21
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)6-4-1-2-12-7(16)5(4)14(3-15)13-6/h15H,1-3H2,(H,12,16)
InChIKeyFTLZFMVHLVNTQB-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.14
Rot. Bonds1

About 1-(hydroxymethyl)-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one

1-(hydroxymethyl)-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one (PubChem CID 141413704) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-(hydroxymethyl)-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one
PubChem CID141413704
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name1-(hydroxymethyl)-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one
SMILESO=C1NCCc2c(C(F)(F)F)nn(CO)c21
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)6-4-1-2-12-7(16)5(4)14(3-15)13-6/h15H,1-3H2,(H,12,16)
InChIKeyFTLZFMVHLVNTQB-UHFFFAOYSA-N
XLogP0.14
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 1-(hydroxymethyl)-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one (CID 141413704) is 1-(hydroxymethyl)-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 1-(hydroxymethyl)-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 1-(hydroxymethyl)-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one is O=C1NCCc2c(C(F)(F)F)nn(CO)c21.
What is the InChIKey of 1-(hydroxymethyl)-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one?
The InChIKey is FTLZFMVHLVNTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c9-8(10,11)6-4-1-2-12-7(16)5(4)14(3-15)13-6/h15H,1-3H2,(H,12,16).
What are the key properties of 1-(hydroxymethyl)-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one?
1-(hydroxymethyl)-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one has a molecular weight of 235.16 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 141413704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).