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

C17H22FN3O — CID 30936167

IUPAC(2R,6S)-4-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(Cc2cn(C)nc2-c2ccccc2F)C[C@H](C)O1
InChIInChI=1S/C17H22FN3O/c1-12-8-21(9-13(2)22-12)11-14-10-20(3)19-17(14)15-6-4-5-7-16(15)18/h4-7,10,12-13H,8-9,11H2,1-3H3/t12-,13+
InChIKeyVZAZVBJXEGCZDO-BETUJISGSA-N
MW303.38 g/mol
LogP2.84
Rot. Bonds3

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

(2R,6S)-4-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 30936167) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is (2R,6S)-4-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2,6-dimethylmorpholine
PubChem CID30936167
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name(2R,6S)-4-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(Cc2cn(C)nc2-c2ccccc2F)C[C@H](C)O1
InChIInChI=1S/C17H22FN3O/c1-12-8-21(9-13(2)22-12)11-14-10-20(3)19-17(14)15-6-4-5-7-16(15)18/h4-7,10,12-13H,8-9,11H2,1-3H3/t12-,13+
InChIKeyVZAZVBJXEGCZDO-BETUJISGSA-N
XLogP2.84
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fezolamine
CID 54567
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
2-[3-(4-Methylphenyl)-1-phenylpyrazol-4-yl]-1-morpholin-4-ylethanethione
CID 2121563
ethyl (4-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-3-morpholinyl)acetate
CID 16189986
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine-1-carboxylate
CID 89682719
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-methoxy-N-methylethanamine
CID 16187753
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
4-[1-(1-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidin-4-yl)ethyl]morpholine
CID 16191555
(1S,4S)-2-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-2-azabicyclo[2.2.1]heptane
CID 16192448
4-[(2-Fluorophenyl)methyl]-1-[2-(3-methylpyrazol-1-yl)ethyl]piperidine
CID 28357663
ethyl 1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidine-2-carboxylate
CID 16187266

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2,6-dimethylmorpholine (CID 30936167) is (2R,6S)-4-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2,6-dimethylmorpholine is C[C@@H]1CN(Cc2cn(C)nc2-c2ccccc2F)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is VZAZVBJXEGCZDO-BETUJISGSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-12-8-21(9-13(2)22-12)11-14-10-20(3)19-17(14)15-6-4-5-7-16(15)18/h4-7,10,12-13H,8-9,11H2,1-3H3/t12-,13+.
What are the key properties of (2R,6S)-4-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2,6-dimethylmorpholine?
(2R,6S)-4-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 303.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 30936167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).