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

C19H24F3N3O2 — CID 124956360

IUPAC(2R)-4-propan-2-yl-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine
SMILESCC(C)N1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1
InChIInChI=1S/C19H24F3N3O2/c1-13(2)25-7-9-27-18(12-25)17-11-15(23-24-17)6-8-26-16-5-3-4-14(10-16)19(20,21)22/h3-5,10-11,13,18H,6-9,12H2,1-2H3,(H,23,24)/t18-/m1/s1
InChIKeyFQYPUXBFSVZWGL-GOSISDBHSA-N
MW383.41 g/mol
LogP3.83
Rot. Bonds6

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

(2R)-4-propan-2-yl-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine (PubChem CID 124956360) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is (2R)-4-propan-2-yl-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine.

Molecular Properties

Compound Name(2R)-4-propan-2-yl-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine
PubChem CID124956360
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Name(2R)-4-propan-2-yl-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine
SMILESCC(C)N1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1
InChIInChI=1S/C19H24F3N3O2/c1-13(2)25-7-9-27-18(12-25)17-11-15(23-24-17)6-8-26-16-5-3-4-14(10-16)19(20,21)22/h3-5,10-11,13,18H,6-9,12H2,1-2H3,(H,23,24)/t18-/m1/s1
InChIKeyFQYPUXBFSVZWGL-GOSISDBHSA-N
XLogP3.83
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone
CID 125002810
(2R)-4-(2-methylpropyl)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine
CID 124958217
1-methyl-5-[[(3R)-3-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyrazole
CID 95831704
4-[[3-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 110268467
(2R)-4-pyrimidin-2-yl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine
CID 125011961
(2-methylpyrazol-3-yl)-[(3S)-3-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 95831685
1-[(2S)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone
CID 124941015
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 95831773
3-[(3S)-pyrrolidin-3-yl]-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole
CID 95832176
(2R)-2-[1-methyl-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]-4-propylmorpholine
CID 125003381
(2S)-4-(4,6-dimethylpyrimidin-2-yl)-2-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine
CID 125006919
3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole
CID 95831308

Frequently Asked Questions

What is the IUPAC name of (2R)-4-propan-2-yl-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine?
The IUPAC name of (2R)-4-propan-2-yl-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine (CID 124956360) is (2R)-4-propan-2-yl-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine.
What is the SMILES notation for (2R)-4-propan-2-yl-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine?
The canonical SMILES for (2R)-4-propan-2-yl-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine is CC(C)N1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1.
What is the InChIKey of (2R)-4-propan-2-yl-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine?
The InChIKey is FQYPUXBFSVZWGL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c1-13(2)25-7-9-27-18(12-25)17-11-15(23-24-17)6-8-26-16-5-3-4-14(10-16)19(20,21)22/h3-5,10-11,13,18H,6-9,12H2,1-2H3,(H,23,24)/t18-/m1/s1.
What are the key properties of (2R)-4-propan-2-yl-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine?
(2R)-4-propan-2-yl-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine has a molecular weight of 383.41 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-propan-2-yl-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine is sourced from PubChem (CID 124956360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).