(2R,6S)-4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine

C23H26FN3O2 — CID 70705583

IUPAC(2R,6S)-4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine
SMILESCOc1ccc(-n2cc(CN3C[C@@H](C)O[C@@H](C)C3)c(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C23H26FN3O2/c1-16-12-26(13-17(2)29-16)14-19-15-27(21-7-9-22(28-3)10-8-21)25-23(19)18-5-4-6-20(24)11-18/h4-11,15-17H,12-14H2,1-3H3/t16-,17+
InChIKeyYNVYSAKGIJSBEG-CALCHBBNSA-N
MW395.48 g/mol
LogP4.30
Rot. Bonds5

About (2R,6S)-4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine

(2R,6S)-4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 70705583) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is (2R,6S)-4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine
PubChem CID70705583
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name(2R,6S)-4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine
SMILESCOc1ccc(-n2cc(CN3C[C@@H](C)O[C@@H](C)C3)c(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C23H26FN3O2/c1-16-12-26(13-17(2)29-16)14-19-15-27(21-7-9-22(28-3)10-8-21)25-23(19)18-5-4-6-20(24)11-18/h4-11,15-17H,12-14H2,1-3H3/t16-,17+
InChIKeyYNVYSAKGIJSBEG-CALCHBBNSA-N
XLogP4.30
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine (CID 70705583) is (2R,6S)-4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine is COc1ccc(-n2cc(CN3C[C@@H](C)O[C@@H](C)C3)c(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of (2R,6S)-4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is YNVYSAKGIJSBEG-CALCHBBNSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-16-12-26(13-17(2)29-16)14-19-15-27(21-7-9-22(28-3)10-8-21)25-23(19)18-5-4-6-20(24)11-18/h4-11,15-17H,12-14H2,1-3H3/t16-,17+.
What are the key properties of (2R,6S)-4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine?
(2R,6S)-4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 395.48 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 70705583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).