1-[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanone

C17H17F3N4O — CID 129097363

IUPAC1-[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1cn(Cc2ccc(N3CC4CC4C3)nc2)nc1C(F)(F)F
InChIInChI=1S/C17H17F3N4O/c1-10(25)14-9-24(22-16(14)17(18,19)20)6-11-2-3-15(21-5-11)23-7-12-4-13(12)8-23/h2-3,5,9,12-13H,4,6-8H2,1H3
InChIKeyRUBVKSHPDYPMJS-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.00
Rot. Bonds4

About 1-[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanone

1-[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanone (PubChem CID 129097363) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is 1-[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanone
PubChem CID129097363
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC Name1-[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1cn(Cc2ccc(N3CC4CC4C3)nc2)nc1C(F)(F)F
InChIInChI=1S/C17H17F3N4O/c1-10(25)14-9-24(22-16(14)17(18,19)20)6-11-2-3-15(21-5-11)23-7-12-4-13(12)8-23/h2-3,5,9,12-13H,4,6-8H2,1H3
InChIKeyRUBVKSHPDYPMJS-UHFFFAOYSA-N
XLogP3.00
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanone (CID 129097363) is 1-[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanone is CC(=O)c1cn(Cc2ccc(N3CC4CC4C3)nc2)nc1C(F)(F)F.
What is the InChIKey of 1-[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanone?
The InChIKey is RUBVKSHPDYPMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c1-10(25)14-9-24(22-16(14)17(18,19)20)6-11-2-3-15(21-5-11)23-7-12-4-13(12)8-23/h2-3,5,9,12-13H,4,6-8H2,1H3.
What are the key properties of 1-[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanone?
1-[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanone has a molecular weight of 350.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 129097363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).