4-[[3-fluoro-2-(4-methoxy-3-methylpyrazol-1-yl)phenyl]methyl]morpholine

C16H20FN3O2 — CID 174658418

IUPAC4-[[3-fluoro-2-(4-methoxy-3-methylpyrazol-1-yl)phenyl]methyl]morpholine
SMILESCOc1cn(-c2c(F)cccc2CN2CCOCC2)nc1C
InChIInChI=1S/C16H20FN3O2/c1-12-15(21-2)11-20(18-12)16-13(4-3-5-14(16)17)10-19-6-8-22-9-7-19/h3-5,11H,6-10H2,1-2H3
InChIKeyGJWDWVMJIOKPHT-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.16
Rot. Bonds4

About 4-[[3-fluoro-2-(4-methoxy-3-methylpyrazol-1-yl)phenyl]methyl]morpholine

4-[[3-fluoro-2-(4-methoxy-3-methylpyrazol-1-yl)phenyl]methyl]morpholine (PubChem CID 174658418) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-[[3-fluoro-2-(4-methoxy-3-methylpyrazol-1-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-fluoro-2-(4-methoxy-3-methylpyrazol-1-yl)phenyl]methyl]morpholine
PubChem CID174658418
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name4-[[3-fluoro-2-(4-methoxy-3-methylpyrazol-1-yl)phenyl]methyl]morpholine
SMILESCOc1cn(-c2c(F)cccc2CN2CCOCC2)nc1C
InChIInChI=1S/C16H20FN3O2/c1-12-15(21-2)11-20(18-12)16-13(4-3-5-14(16)17)10-19-6-8-22-9-7-19/h3-5,11H,6-10H2,1-2H3
InChIKeyGJWDWVMJIOKPHT-UHFFFAOYSA-N
XLogP2.16
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-2-(4-methoxy-3-methylpyrazol-1-yl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-fluoro-2-(4-methoxy-3-methylpyrazol-1-yl)phenyl]methyl]morpholine (CID 174658418) is 4-[[3-fluoro-2-(4-methoxy-3-methylpyrazol-1-yl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-fluoro-2-(4-methoxy-3-methylpyrazol-1-yl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-fluoro-2-(4-methoxy-3-methylpyrazol-1-yl)phenyl]methyl]morpholine is COc1cn(-c2c(F)cccc2CN2CCOCC2)nc1C.
What is the InChIKey of 4-[[3-fluoro-2-(4-methoxy-3-methylpyrazol-1-yl)phenyl]methyl]morpholine?
The InChIKey is GJWDWVMJIOKPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-12-15(21-2)11-20(18-12)16-13(4-3-5-14(16)17)10-19-6-8-22-9-7-19/h3-5,11H,6-10H2,1-2H3.
What are the key properties of 4-[[3-fluoro-2-(4-methoxy-3-methylpyrazol-1-yl)phenyl]methyl]morpholine?
4-[[3-fluoro-2-(4-methoxy-3-methylpyrazol-1-yl)phenyl]methyl]morpholine has a molecular weight of 305.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-fluoro-2-(4-methoxy-3-methylpyrazol-1-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 174658418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).