3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine

C17H18F3N3O — CID 90427497

IUPAC3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine
SMILESFC(F)(F)Cn1nccc1C1=C(COc2cccnc2)CCCC1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)12-23-16(7-9-22-23)15-6-2-1-4-13(15)11-24-14-5-3-8-21-10-14/h3,5,7-10H,1-2,4,6,11-12H2
InChIKeyRVOSPHSSTZBIMS-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.25
Rot. Bonds5

About 3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine

3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine (PubChem CID 90427497) has the molecular formula C17H18F3N3O and a molecular weight of 337.34 g/mol. Its IUPAC name is 3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine
PubChem CID90427497
Molecular FormulaC17H18F3N3O
Molecular Weight337.34 g/mol
Exact Mass337.14
IUPAC Name3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine
SMILESFC(F)(F)Cn1nccc1C1=C(COc2cccnc2)CCCC1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)12-23-16(7-9-22-23)15-6-2-1-4-13(15)11-24-14-5-3-8-21-10-14/h3,5,7-10H,1-2,4,6,11-12H2
InChIKeyRVOSPHSSTZBIMS-UHFFFAOYSA-N
XLogP4.25
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine?
The IUPAC name of 3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine (CID 90427497) is 3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine.
What is the SMILES notation for 3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine?
The canonical SMILES for 3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine is FC(F)(F)Cn1nccc1C1=C(COc2cccnc2)CCCC1.
What is the InChIKey of 3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine?
The InChIKey is RVOSPHSSTZBIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c18-17(19,20)12-23-16(7-9-22-23)15-6-2-1-4-13(15)11-24-14-5-3-8-21-10-14/h3,5,7-10H,1-2,4,6,11-12H2.
What are the key properties of 3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine?
3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine has a molecular weight of 337.34 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine is sourced from PubChem (CID 90427497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).