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

C7H6F3N3O — CID 82609486

IUPAC3-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-4-one
SMILESO=C1NCCc2[nH]nc(C(F)(F)F)c21
InChIInChI=1S/C7H6F3N3O/c8-7(9,10)5-4-3(12-13-5)1-2-11-6(4)14/h1-2H2,(H,11,14)(H,12,13)
InChIKeyGEPLTDOTDCUZBX-UHFFFAOYSA-N
MW205.14 g/mol
LogP0.71
Rot. Bonds

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

3-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 82609486) has the molecular formula C7H6F3N3O and a molecular weight of 205.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-4-one
PubChem CID82609486
Molecular FormulaC7H6F3N3O
Molecular Weight205.14 g/mol
Exact Mass205.05
IUPAC Name3-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-4-one
SMILESO=C1NCCc2[nH]nc(C(F)(F)F)c21
InChIInChI=1S/C7H6F3N3O/c8-7(9,10)5-4-3(12-13-5)1-2-11-6(4)14/h1-2H2,(H,11,14)(H,12,13)
InChIKeyGEPLTDOTDCUZBX-UHFFFAOYSA-N
XLogP0.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 3-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-4-one (CID 82609486) is 3-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 3-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 3-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-4-one is O=C1NCCc2[nH]nc(C(F)(F)F)c21.
What is the InChIKey of 3-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-4-one?
The InChIKey is GEPLTDOTDCUZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O/c8-7(9,10)5-4-3(12-13-5)1-2-11-6(4)14/h1-2H2,(H,11,14)(H,12,13).
What are the key properties of 3-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-4-one?
3-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 205.14 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 82609486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).