[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone

C14H20F3N3O3 — CID 56876643

IUPAC[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCCOCCn1nc(C)cc1C(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C14H20F3N3O3/c1-3-22-6-5-20-11(8-10(2)18-20)13(21)19-4-7-23-12(9-19)14(15,16)17/h8,12H,3-7,9H2,1-2H3
InChIKeyJXPJKHFYPKKAII-UHFFFAOYSA-N
MW335.33 g/mol
LogP1.63
Rot. Bonds5

About [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone

[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 56876643) has the molecular formula C14H20F3N3O3 and a molecular weight of 335.33 g/mol. Its IUPAC name is [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID56876643
Molecular FormulaC14H20F3N3O3
Molecular Weight335.33 g/mol
Exact Mass335.15
IUPAC Name[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCCOCCn1nc(C)cc1C(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C14H20F3N3O3/c1-3-22-6-5-20-11(8-10(2)18-20)13(21)19-4-7-23-12(9-19)14(15,16)17/h8,12H,3-7,9H2,1-2H3
InChIKeyJXPJKHFYPKKAII-UHFFFAOYSA-N
XLogP1.63
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-1-morpholin-4-yl-ethanone
CID 673378
(1,5-Dimethylpyrazol-3-yl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
CID 2738511
3-[1-(2-Tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 3527678
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 53624049
(3S)-1-{[1-(2-ethoxyethyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}-N,N-dimethylazepan-3-amine
CID 70710284
(3R*,4R*)-1-{[1-(2-ethoxyethyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}-4-ethylpiperidine-3,4-diol
CID 70726104
(4-{[1-(2-ethoxyethyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}-1,4-oxazepan-6-yl)methanol
CID 70745502
(3R*,4S*)-1-{[1-(2-ethoxyethyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}-3,4-dimethylpiperidin-4-ol
CID 70755394
(4S*)-1-{[1-(2-ethoxyethyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}-3,3,4-trimethylpiperidin-4-ol
CID 70779114
4-{[1-(2-ethoxyethyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}-2-ethyl-1-isopropylpiperazine
CID 72911903
1-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-3-carboxamide
CID 75445684
N,1,5-Trimethyl-N-[(4-methyloxan-4-YL)methyl]-1H-pyrazole-3-carboxamide
CID 110875727

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone (CID 56876643) is [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone is CCOCCn1nc(C)cc1C(=O)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is JXPJKHFYPKKAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3/c1-3-22-6-5-20-11(8-10(2)18-20)13(21)19-4-7-23-12(9-19)14(15,16)17/h8,12H,3-7,9H2,1-2H3.
What are the key properties of [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 335.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56876643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).