N-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C16H18F3N3O2 — CID 134028338

IUPACN-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOCCN(Cc1ccccc1)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N3O2/c1-24-10-9-21(11-13-5-3-2-4-6-13)15(23)12-22-8-7-14(20-22)16(17,18)19/h2-8H,9-12H2,1H3
InChIKeyZVCYIMQRZNNBPF-UHFFFAOYSA-N
MW341.33 g/mol
LogP2.58
Rot. Bonds7

About N-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 134028338) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID134028338
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC NameN-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOCCN(Cc1ccccc1)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N3O2/c1-24-10-9-21(11-13-5-3-2-4-6-13)15(23)12-22-8-7-14(20-22)16(17,18)19/h2-8H,9-12H2,1H3
InChIKeyZVCYIMQRZNNBPF-UHFFFAOYSA-N
XLogP2.58
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 95778125
N-(2-aminoethyl)-N-(2-phenylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide;hydrochloride
CID 120884403
2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide
CID 62102852
N-benzyl-4-hydroxy-N-(2-methoxyethyl)butanamide
CID 79205106
N-benzyl-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 78781458
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 79291704
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55344710
N-benzyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-methoxyethyl)acetamide
CID 17435515
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
N-benzyl-2-cyclopentyl-N-(2-methoxyethyl)acetamide
CID 86975819
N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide
CID 103515233
N-(2-hydroxyethyl)-N-prop-2-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 115776316

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 134028338) is N-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is COCCN(Cc1ccccc1)C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ZVCYIMQRZNNBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-24-10-9-21(11-13-5-3-2-4-6-13)15(23)12-22-8-7-14(20-22)16(17,18)19/h2-8H,9-12H2,1H3.
What are the key properties of N-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 341.33 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 134028338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).