(2R)-4-(2-methylpropyl)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine

C20H26F3N3O2 — CID 124958217

IUPAC(2R)-4-(2-methylpropyl)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine
SMILESCC(C)CN1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1
InChIInChI=1S/C20H26F3N3O2/c1-14(2)12-26-8-10-28-19(13-26)18-11-16(24-25-18)7-9-27-17-5-3-15(4-6-17)20(21,22)23/h3-6,11,14,19H,7-10,12-13H2,1-2H3,(H,24,25)/t19-/m1/s1
InChIKeyGEOXTQKZELSMSW-LJQANCHMSA-N
MW397.44 g/mol
LogP4.08
Rot. Bonds7

About (2R)-4-(2-methylpropyl)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine

(2R)-4-(2-methylpropyl)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine (PubChem CID 124958217) has the molecular formula C20H26F3N3O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is (2R)-4-(2-methylpropyl)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine.

Molecular Properties

Compound Name(2R)-4-(2-methylpropyl)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine
PubChem CID124958217
Molecular FormulaC20H26F3N3O2
Molecular Weight397.44 g/mol
Exact Mass397.20
IUPAC Name(2R)-4-(2-methylpropyl)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine
SMILESCC(C)CN1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1
InChIInChI=1S/C20H26F3N3O2/c1-14(2)12-26-8-10-28-19(13-26)18-11-16(24-25-18)7-9-27-17-5-3-15(4-6-17)20(21,22)23/h3-6,11,14,19H,7-10,12-13H2,1-2H3,(H,24,25)/t19-/m1/s1
InChIKeyGEOXTQKZELSMSW-LJQANCHMSA-N
XLogP4.08
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine
CID 125011961
1-[(2S)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone
CID 124941015
(2R)-4-propan-2-yl-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine
CID 124956360
3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole
CID 95831308
N,N-dimethyl-2-[(3R)-3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]acetamide
CID 95831468
1-[(2R)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone
CID 125002810
(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine
CID 125021223
1,3-dimethyl-4-[[3-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole
CID 110261390
2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
CID 127250740
2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 127250858
(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]morpholine
CID 125005877
(2S)-N,N-dimethyl-2-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-sulfonamide
CID 125015961

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-methylpropyl)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine?
The IUPAC name of (2R)-4-(2-methylpropyl)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine (CID 124958217) is (2R)-4-(2-methylpropyl)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine.
What is the SMILES notation for (2R)-4-(2-methylpropyl)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine?
The canonical SMILES for (2R)-4-(2-methylpropyl)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine is CC(C)CN1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1.
What is the InChIKey of (2R)-4-(2-methylpropyl)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine?
The InChIKey is GEOXTQKZELSMSW-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26F3N3O2/c1-14(2)12-26-8-10-28-19(13-26)18-11-16(24-25-18)7-9-27-17-5-3-15(4-6-17)20(21,22)23/h3-6,11,14,19H,7-10,12-13H2,1-2H3,(H,24,25)/t19-/m1/s1.
What are the key properties of (2R)-4-(2-methylpropyl)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine?
(2R)-4-(2-methylpropyl)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine has a molecular weight of 397.44 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-methylpropyl)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine is sourced from PubChem (CID 124958217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).