N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C13H20F3N3O3 — CID 86846934

IUPACN-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCOCCn1nc(C)c(CNC(=O)COCC(F)(F)F)c1C
InChIInChI=1S/C13H20F3N3O3/c1-9-11(10(2)19(18-9)4-5-21-3)6-17-12(20)7-22-8-13(14,15)16/h4-8H2,1-3H3,(H,17,20)
InChIKeyMWEBZZMQZUAIRI-UHFFFAOYSA-N
MW323.32 g/mol
LogP1.34
Rot. Bonds8

About N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86846934) has the molecular formula C13H20F3N3O3 and a molecular weight of 323.32 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86846934
Molecular FormulaC13H20F3N3O3
Molecular Weight323.32 g/mol
Exact Mass323.15
IUPAC NameN-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCOCCn1nc(C)c(CNC(=O)COCC(F)(F)F)c1C
InChIInChI=1S/C13H20F3N3O3/c1-9-11(10(2)19(18-9)4-5-21-3)6-17-12(20)7-22-8-13(14,15)16/h4-8H2,1-3H3,(H,17,20)
InChIKeyMWEBZZMQZUAIRI-UHFFFAOYSA-N
XLogP1.34
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 110226048
(2-methoxyethyl)[(trimethyl-1H-pyrazol-4-yl)methyl]amine
CID 42281907
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-ethoxyacetamide
CID 49670889
3-(3-Ethoxypropyl)-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-YL)methyl]urea
CID 20964146
N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43044813
ethyl 2-(1-isopropyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamido)acetate
CID 49675663
4-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-(trifluoromethyl)morpholine
CID 56871764
2-[(4-hydroxy-6-methylpyridin-3-yl)oxy]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 71709110
N~1~-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N~2~-(2-methoxyethyl)-N~2~-methylglycinamide
CID 118774020
1-[2-(Difluoromethoxy)ethyl]-3,4,5-trimethylpyrazole
CID 166473864
3,4,5-Trimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole
CID 179054311
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate
CID 7792564

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 86846934) is N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is COCCn1nc(C)c(CNC(=O)COCC(F)(F)F)c1C.
What is the InChIKey of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is MWEBZZMQZUAIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O3/c1-9-11(10(2)19(18-9)4-5-21-3)6-17-12(20)7-22-8-13(14,15)16/h4-8H2,1-3H3,(H,17,20).
What are the key properties of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 323.32 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86846934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).