2-naphthalen-2-yloxy-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide

C18H16F3N3O3 — CID 19340669

IUPAC2-naphthalen-2-yloxy-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1cnn(COCC(F)(F)F)c1
InChIInChI=1S/C18H16F3N3O3/c19-18(20,21)11-26-12-24-9-15(8-22-24)23-17(25)10-27-16-6-5-13-3-1-2-4-14(13)7-16/h1-9H,10-12H2,(H,23,25)
InChIKeyIWZPCGCJGOGXLX-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.59
Rot. Bonds7

About 2-naphthalen-2-yloxy-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide

2-naphthalen-2-yloxy-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide (PubChem CID 19340669) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
PubChem CID19340669
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Name2-naphthalen-2-yloxy-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1cnn(COCC(F)(F)F)c1
InChIInChI=1S/C18H16F3N3O3/c19-18(20,21)11-26-12-24-9-15(8-22-24)23-17(25)10-27-16-6-5-13-3-1-2-4-14(13)7-16/h1-9H,10-12H2,(H,23,25)
InChIKeyIWZPCGCJGOGXLX-UHFFFAOYSA-N
XLogP3.59
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide
CID 19408676
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide
CID 19407577
2,2,2-trifluoro-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
CID 19340779
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
2-iodo-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340670
2-naphthalen-2-yloxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 1370829
3-fluoro-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340739
2-[2-oxo-2-[[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]amino]ethyl]pyrazole-3-carboxylic acid
CID 19485688
2-naphthalen-2-yloxy-N-pyridin-4-ylacetamide
CID 823638
1-[2-oxo-2-[[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]amino]ethyl]pyrazole-3-carboxylic acid
CID 19502323
3-(1H-indol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide
CID 19340671
2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741112

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide (CID 19340669) is 2-naphthalen-2-yloxy-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide is O=C(COc1ccc2ccccc2c1)Nc1cnn(COCC(F)(F)F)c1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide?
The InChIKey is IWZPCGCJGOGXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c19-18(20,21)11-26-12-24-9-15(8-22-24)23-17(25)10-27-16-6-5-13-3-1-2-4-14(13)7-16/h1-9H,10-12H2,(H,23,25).
What are the key properties of 2-naphthalen-2-yloxy-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide?
2-naphthalen-2-yloxy-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide has a molecular weight of 379.34 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 19340669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).