N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C17H27F3N4O2 — CID 55550660

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCC(CC)C(CNC(=O)Cn1ccc(C(F)(F)F)n1)N1CCOCC1
InChIInChI=1S/C17H27F3N4O2/c1-3-13(4-2)14(23-7-9-26-10-8-23)11-21-16(25)12-24-6-5-15(22-24)17(18,19)20/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,21,25)
InChIKeyBURDAQKKPQOVGZ-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.16
Rot. Bonds8

About N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 55550660) has the molecular formula C17H27F3N4O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID55550660
Molecular FormulaC17H27F3N4O2
Molecular Weight376.42 g/mol
Exact Mass376.21
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCC(CC)C(CNC(=O)Cn1ccc(C(F)(F)F)n1)N1CCOCC1
InChIInChI=1S/C17H27F3N4O2/c1-3-13(4-2)14(23-7-9-26-10-8-23)11-21-16(25)12-24-6-5-15(22-24)17(18,19)20/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,21,25)
InChIKeyBURDAQKKPQOVGZ-UHFFFAOYSA-N
XLogP2.16
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinylidene]piperidine-1-carboxylate
CID 3608528
N-(1-methoxybutan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448733
N-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 84597978
4-Fluoro-N-(2-methoxyethyl)-1-(1-methyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 124053494
N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 47005565
1-[(3S)-3-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 94095763
N-({(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]hexahydro-4-pyridinyl}methyl)-2-methoxyacetamide
CID 91920969
N-{[(3S4R)-3-(Dimethylamino)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-YL)methyl]piperidin-4-YL]methyl}-2-methoxyacetamide
CID 91920970
1-(2,6-Dimethylmorpholin-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 45793812
N-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[2-(trifluoromethyl)morpholin-4-yl]acetamide
CID 56873173
N-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide
CID 71899330
(3S)-4-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylpiperazin-2-one
CID 97601890

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 55550660) is N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCC(CC)C(CNC(=O)Cn1ccc(C(F)(F)F)n1)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is BURDAQKKPQOVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3N4O2/c1-3-13(4-2)14(23-7-9-26-10-8-23)11-21-16(25)12-24-6-5-15(22-24)17(18,19)20/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,21,25).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 376.42 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 55550660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).