4-[2-(3-ethyl-5-fluoroindazol-1-yl)ethyl]morpholine

C15H20FN3O — CID 123601845

IUPAC4-[2-(3-ethyl-5-fluoroindazol-1-yl)ethyl]morpholine
SMILESCCc1nn(CCN2CCOCC2)c2ccc(F)cc12
InChIInChI=1S/C15H20FN3O/c1-2-14-13-11-12(16)3-4-15(13)19(17-14)6-5-18-7-9-20-10-8-18/h3-4,11H,2,5-10H2,1H3
InChIKeyYRYGWUKWHCFSIB-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.07
Rot. Bonds4

About 4-[2-(3-ethyl-5-fluoroindazol-1-yl)ethyl]morpholine

4-[2-(3-ethyl-5-fluoroindazol-1-yl)ethyl]morpholine (PubChem CID 123601845) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-[2-(3-ethyl-5-fluoroindazol-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(3-ethyl-5-fluoroindazol-1-yl)ethyl]morpholine
PubChem CID123601845
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name4-[2-(3-ethyl-5-fluoroindazol-1-yl)ethyl]morpholine
SMILESCCc1nn(CCN2CCOCC2)c2ccc(F)cc12
InChIInChI=1S/C15H20FN3O/c1-2-14-13-11-12(16)3-4-15(13)19(17-14)6-5-18-7-9-20-10-8-18/h3-4,11H,2,5-10H2,1H3
InChIKeyYRYGWUKWHCFSIB-UHFFFAOYSA-N
XLogP2.07
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethyl-5-fluoroindazol-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(3-ethyl-5-fluoroindazol-1-yl)ethyl]morpholine (CID 123601845) is 4-[2-(3-ethyl-5-fluoroindazol-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(3-ethyl-5-fluoroindazol-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(3-ethyl-5-fluoroindazol-1-yl)ethyl]morpholine is CCc1nn(CCN2CCOCC2)c2ccc(F)cc12.
What is the InChIKey of 4-[2-(3-ethyl-5-fluoroindazol-1-yl)ethyl]morpholine?
The InChIKey is YRYGWUKWHCFSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-2-14-13-11-12(16)3-4-15(13)19(17-14)6-5-18-7-9-20-10-8-18/h3-4,11H,2,5-10H2,1H3.
What are the key properties of 4-[2-(3-ethyl-5-fluoroindazol-1-yl)ethyl]morpholine?
4-[2-(3-ethyl-5-fluoroindazol-1-yl)ethyl]morpholine has a molecular weight of 277.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-ethyl-5-fluoroindazol-1-yl)ethyl]morpholine is sourced from PubChem (CID 123601845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).