4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine

C12H18F3N3O — CID 142466663

IUPAC4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine
SMILESCc1c(C(F)(F)F)nn(CCN2CCOCC2)c1C
InChIInChI=1S/C12H18F3N3O/c1-9-10(2)18(16-11(9)12(13,14)15)4-3-17-5-7-19-8-6-17/h3-8H2,1-2H3
InChIKeyGPCCUFAEYQJYNU-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.85
Rot. Bonds3

About 4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine

4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine (PubChem CID 142466663) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine
PubChem CID142466663
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine
SMILESCc1c(C(F)(F)F)nn(CCN2CCOCC2)c1C
InChIInChI=1S/C12H18F3N3O/c1-9-10(2)18(16-11(9)12(13,14)15)4-3-17-5-7-19-8-6-17/h3-8H2,1-2H3
InChIKeyGPCCUFAEYQJYNU-UHFFFAOYSA-N
XLogP1.85
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxyethyl)[(trimethyl-1H-pyrazol-4-yl)methyl]amine
CID 42281907
4-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)morpholine
CID 52141999
4-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-(trifluoromethyl)morpholine
CID 56871764
2-[4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 99941393
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 124545921
1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(morpholin-4-ylsulfonyl)-1,4-diazepane
CID 129622228
(6S)-8-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane
CID 164635971
4-Tert-butyl-3-(difluoromethyl)-5-methyl-1-(oxan-2-yl)pyrazole
CID 57813036
6-ethyl-1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 58157179
2-[3,4-Dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 58514645
2-[4,5-Dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 70669464
2-[4,5-Dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 70851830

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine (CID 142466663) is 4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine is Cc1c(C(F)(F)F)nn(CCN2CCOCC2)c1C.
What is the InChIKey of 4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine?
The InChIKey is GPCCUFAEYQJYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-9-10(2)18(16-11(9)12(13,14)15)4-3-17-5-7-19-8-6-17/h3-8H2,1-2H3.
What are the key properties of 4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine?
4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine has a molecular weight of 277.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 142466663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).