3-(1H-pyrazol-4-yl)-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one

C18H20F3N3O2 — CID 45238895

IUPAC3-(1H-pyrazol-4-yl)-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one
SMILESO=C(CCc1cn[nH]c1)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H20F3N3O2/c19-18(20,21)15-3-1-2-13(8-15)9-16-12-24(6-7-26-16)17(25)5-4-14-10-22-23-11-14/h1-3,8,10-11,16H,4-7,9,12H2,(H,22,23)
InChIKeyKHVIZCOLCNTHCS-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.83
Rot. Bonds5

About 3-(1H-pyrazol-4-yl)-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one

3-(1H-pyrazol-4-yl)-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one (PubChem CID 45238895) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one
PubChem CID45238895
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name3-(1H-pyrazol-4-yl)-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one
SMILESO=C(CCc1cn[nH]c1)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H20F3N3O2/c19-18(20,21)15-3-1-2-13(8-15)9-16-12-24(6-7-26-16)17(25)5-4-14-10-22-23-11-14/h1-3,8,10-11,16H,4-7,9,12H2,(H,22,23)
InChIKeyKHVIZCOLCNTHCS-UHFFFAOYSA-N
XLogP2.83
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-phenylmethoxypiperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 28375762
1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 42565145
1H-pyrazol-4-yl-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 45191897
3-[2-(3-fluorophenyl)ethyl]-1-[3-(1H-pyrazol-4-yl)propanoyl]piperidine
CID 45198765
(5-methyl-1H-pyrazol-4-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 45201990
2-(3-fluorobenzyl)-4-(1H-pyrazol-4-ylcarbonyl)morpholine
CID 45208368
1-[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 56858584
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56862206
4-[3-(1H-Pyrazol-4-YL)benzoyl]-2-(trifluoromethyl)morpholine
CID 56869129
1-[4-[(1S)-1-hydroxy-3-phenylpropyl]piperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 96406646
(1S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-(1H-pyrazol-4-yl)-2,3,6,8a-tetrahydro-1H-indolizin-5-one
CID 91256822
1-[(4R)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)butan-1-one
CID 163577951

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(1H-pyrazol-4-yl)-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one (CID 45238895) is 3-(1H-pyrazol-4-yl)-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(1H-pyrazol-4-yl)-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one is O=C(CCc1cn[nH]c1)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one?
The InChIKey is KHVIZCOLCNTHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c19-18(20,21)15-3-1-2-13(8-15)9-16-12-24(6-7-26-16)17(25)5-4-14-10-22-23-11-14/h1-3,8,10-11,16H,4-7,9,12H2,(H,22,23).
What are the key properties of 3-(1H-pyrazol-4-yl)-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one?
3-(1H-pyrazol-4-yl)-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one has a molecular weight of 367.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)-1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 45238895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).