2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylacetamide

C8H9ClF3N3O — CID 19523531

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C
InChIInChI=1S/C8H9ClF3N3O/c1-4-6(9)7(8(10,11)12)14-15(4)3-5(16)13-2/h3H2,1-2H3,(H,13,16)
InChIKeyWNNRGGHBKHVKKV-UHFFFAOYSA-N
MW255.63 g/mol
LogP1.61
Rot. Bonds2

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylacetamide

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylacetamide (PubChem CID 19523531) has the molecular formula C8H9ClF3N3O and a molecular weight of 255.63 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylacetamide
PubChem CID19523531
Molecular FormulaC8H9ClF3N3O
Molecular Weight255.63 g/mol
Exact Mass255.04
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C
InChIInChI=1S/C8H9ClF3N3O/c1-4-6(9)7(8(10,11)12)14-15(4)3-5(16)13-2/h3H2,1-2H3,(H,13,16)
InChIKeyWNNRGGHBKHVKKV-UHFFFAOYSA-N
XLogP1.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl chloride
CID 19620719
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cycloheptylacetamide
CID 19523302
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-ethyl-5-methylpyrazol-4-yl)acetamide
CID 19523480
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)acetamide
CID 19523534
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 17020930
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylacetamide
CID 744105
N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19523312
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19523462
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(5-fluorothiophen-2-yl)methylideneamino]acetamide
CID 171130860
ethyl 2-[[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19523354
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19326191
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19554159

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylacetamide (CID 19523531) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylacetamide?
The InChIKey is WNNRGGHBKHVKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O/c1-4-6(9)7(8(10,11)12)14-15(4)3-5(16)13-2/h3H2,1-2H3,(H,13,16).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylacetamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylacetamide has a molecular weight of 255.63 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 19523531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).