2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide

C20H18F3N3O3 — CID 78817314

IUPAC2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1
InChIInChI=1S/C20H18F3N3O3/c1-28-15-5-7-18(29-2)13(10-15)11-19(27)25-16-12-14(20(21,22)23)4-6-17(16)26-9-3-8-24-26/h3-10,12H,11H2,1-2H3,(H,25,27)
InChIKeyLVUJMKMTKPSOFB-UHFFFAOYSA-N
MW405.38 g/mol
LogP4.09
Rot. Bonds6

About 2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide

2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 78817314) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID78817314
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC Name2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1
InChIInChI=1S/C20H18F3N3O3/c1-28-15-5-7-18(29-2)13(10-15)11-19(27)25-16-12-14(20(21,22)23)4-6-17(16)26-9-3-8-24-26/h3-10,12H,11H2,1-2H3,(H,25,27)
InChIKeyLVUJMKMTKPSOFB-UHFFFAOYSA-N
XLogP4.09
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide (CID 78817314) is 2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide is COc1ccc(OC)c(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LVUJMKMTKPSOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c1-28-15-5-7-18(29-2)13(10-15)11-19(27)25-16-12-14(20(21,22)23)4-6-17(16)26-9-3-8-24-26/h3-10,12H,11H2,1-2H3,(H,25,27).
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 405.38 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 78817314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).