(2S)-2-(pyrazol-1-ylmethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine

C14H18F3N5O — CID 95279217

IUPAC(2S)-2-(pyrazol-1-ylmethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine
SMILESFC(F)(F)Cn1ccnc1CN1CCO[C@H](Cn2cccn2)C1
InChIInChI=1S/C14H18F3N5O/c15-14(16,17)11-21-5-3-18-13(21)10-20-6-7-23-12(8-20)9-22-4-1-2-19-22/h1-5,12H,6-11H2/t12-/m0/s1
InChIKeyJLGTWPOSLLOAPU-LBPRGKRZSA-N
MW329.33 g/mol
LogP1.54
Rot. Bonds5

About (2S)-2-(pyrazol-1-ylmethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine

(2S)-2-(pyrazol-1-ylmethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine (PubChem CID 95279217) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is (2S)-2-(pyrazol-1-ylmethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(pyrazol-1-ylmethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine
PubChem CID95279217
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC Name(2S)-2-(pyrazol-1-ylmethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine
SMILESFC(F)(F)Cn1ccnc1CN1CCO[C@H](Cn2cccn2)C1
InChIInChI=1S/C14H18F3N5O/c15-14(16,17)11-21-5-3-18-13(21)10-20-6-7-23-12(8-20)9-22-4-1-2-19-22/h1-5,12H,6-11H2/t12-/m0/s1
InChIKeyJLGTWPOSLLOAPU-LBPRGKRZSA-N
XLogP1.54
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1-Ethylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53557687
2-(Pyrazol-1-ylmethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine
CID 53559180
4-[(1-Methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53559205
1-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 53561114
4-[(1-Methylimidazol-2-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 53565596
2-[(4-Methylpyrazol-1-yl)methyl]-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine
CID 53565844
4-(2-Pyrazol-1-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 53626022
2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-4-(2-pyrazol-1-ylethyl)morpholine
CID 72141682
2-[4-methyl-5-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]-1,2,4-triazol-3-yl]pyrimidine
CID 138001834
(3R)-3-methyl-4-[[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]morpholine
CID 145879667
(2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 164636876
N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine
CID 164639660

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(pyrazol-1-ylmethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine?
The IUPAC name of (2S)-2-(pyrazol-1-ylmethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine (CID 95279217) is (2S)-2-(pyrazol-1-ylmethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine.
What is the SMILES notation for (2S)-2-(pyrazol-1-ylmethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine?
The canonical SMILES for (2S)-2-(pyrazol-1-ylmethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine is FC(F)(F)Cn1ccnc1CN1CCO[C@H](Cn2cccn2)C1.
What is the InChIKey of (2S)-2-(pyrazol-1-ylmethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine?
The InChIKey is JLGTWPOSLLOAPU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18F3N5O/c15-14(16,17)11-21-5-3-18-13(21)10-20-6-7-23-12(8-20)9-22-4-1-2-19-22/h1-5,12H,6-11H2/t12-/m0/s1.
What are the key properties of (2S)-2-(pyrazol-1-ylmethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine?
(2S)-2-(pyrazol-1-ylmethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine has a molecular weight of 329.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(pyrazol-1-ylmethyl)-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine is sourced from PubChem (CID 95279217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).