N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methoxyacetamide

C9H12F3N3O2 — CID 136531491

IUPACN-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1c(C)c(C(F)(F)F)nn1C
InChIInChI=1S/C9H12F3N3O2/c1-5-7(9(10,11)12)14-15(2)8(5)13-6(16)4-17-3/h4H2,1-3H3,(H,13,16)
InChIKeyARBFZVYPDIGFBW-UHFFFAOYSA-N
MW251.21 g/mol
LogP1.33
Rot. Bonds3

About N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methoxyacetamide

N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methoxyacetamide (PubChem CID 136531491) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methoxyacetamide
PubChem CID136531491
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC NameN-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1c(C)c(C(F)(F)F)nn1C
InChIInChI=1S/C9H12F3N3O2/c1-5-7(9(10,11)12)14-15(2)8(5)13-6(16)4-17-3/h4H2,1-3H3,(H,13,16)
InChIKeyARBFZVYPDIGFBW-UHFFFAOYSA-N
XLogP1.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methoxyacetamide?
The IUPAC name of N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methoxyacetamide (CID 136531491) is N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methoxyacetamide is COCC(=O)Nc1c(C)c(C(F)(F)F)nn1C.
What is the InChIKey of N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methoxyacetamide?
The InChIKey is ARBFZVYPDIGFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-5-7(9(10,11)12)14-15(2)8(5)13-6(16)4-17-3/h4H2,1-3H3,(H,13,16).
What are the key properties of N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methoxyacetamide?
N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methoxyacetamide has a molecular weight of 251.21 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methoxyacetamide is sourced from PubChem (CID 136531491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).