2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide

C11H16F3N3O — CID 90588530

IUPAC2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-10(2,3)9(18)15-5-7-17-6-4-8(16-17)11(12,13)14/h4,6H,5,7H2,1-3H3,(H,15,18)
InChIKeyJSZPSQMORAODCW-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.06
Rot. Bonds3

About 2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide

2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide (PubChem CID 90588530) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
PubChem CID90588530
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-10(2,3)9(18)15-5-7-17-6-4-8(16-17)11(12,13)14/h4,6H,5,7H2,1-3H3,(H,15,18)
InChIKeyJSZPSQMORAODCW-UHFFFAOYSA-N
XLogP2.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide (CID 90588530) is 2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide is CC(C)(C)C(=O)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide?
The InChIKey is JSZPSQMORAODCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-10(2,3)9(18)15-5-7-17-6-4-8(16-17)11(12,13)14/h4,6H,5,7H2,1-3H3,(H,15,18).
What are the key properties of 2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide?
2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide has a molecular weight of 263.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide is sourced from PubChem (CID 90588530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).