4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine

C19H24F3N3O — CID 45184126

IUPAC4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCCn1ncc(CN2CCOC(Cc3cccc(C(F)(F)F)c3)C2)c1C
InChIInChI=1S/C19H24F3N3O/c1-3-25-14(2)16(11-23-25)12-24-7-8-26-18(13-24)10-15-5-4-6-17(9-15)19(20,21)22/h4-6,9,11,18H,3,7-8,10,12-13H2,1-2H3
InChIKeyHEHVLQQJMGNPAI-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.67
Rot. Bonds5

About 4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine

4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 45184126) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is 4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID45184126
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCCn1ncc(CN2CCOC(Cc3cccc(C(F)(F)F)c3)C2)c1C
InChIInChI=1S/C19H24F3N3O/c1-3-25-14(2)16(11-23-25)12-24-7-8-26-18(13-24)10-15-5-4-6-17(9-15)19(20,21)22/h4-6,9,11,18H,3,7-8,10,12-13H2,1-2H3
InChIKeyHEHVLQQJMGNPAI-UHFFFAOYSA-N
XLogP3.67
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)propan-2-amine
CID 16190067
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)methanamine
CID 16190145
1-[[3-(2-Fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-propoxypiperidine
CID 16192474
ethyl 1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)benzyl]-4-piperidinecarboxylate
CID 25295504
ethyl 1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)benzyl]-4-piperidinecarboxylate
CID 26392975
9-[(2-Methylpyrazol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134795616
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyltetrahydrofuran-3-amine
CID 16189951
(2R,6S)-4-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2,6-dimethylmorpholine
CID 30936167
2-(4-fluorobenzyl)-4-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]morpholine
CID 45186590
2-(3-fluorobenzyl)-4-[(1-methyl-1H-pyrazol-4-yl)methyl]morpholine
CID 45190633
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-3-piperidinol
CID 45196985

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine (CID 45184126) is 4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine is CCn1ncc(CN2CCOC(Cc3cccc(C(F)(F)F)c3)C2)c1C.
What is the InChIKey of 4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is HEHVLQQJMGNPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-3-25-14(2)16(11-23-25)12-24-7-8-26-18(13-24)10-15-5-4-6-17(9-15)19(20,21)22/h4-6,9,11,18H,3,7-8,10,12-13H2,1-2H3.
What are the key properties of 4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 367.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 45184126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).