2-(2,2,2-trifluoroethoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide

C12H18F3N3O2 — CID 86990512

IUPAC2-(2,2,2-trifluoroethoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nn(C)c(C)c1CCNC(=O)COCC(F)(F)F
InChIInChI=1S/C12H18F3N3O2/c1-8-10(9(2)18(3)17-8)4-5-16-11(19)6-20-7-12(13,14)15/h4-7H2,1-3H3,(H,16,19)
InChIKeyIMWJXXUDRLIDTQ-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.27
Rot. Bonds6

About 2-(2,2,2-trifluoroethoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide

2-(2,2,2-trifluoroethoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide (PubChem CID 86990512) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
PubChem CID86990512
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name2-(2,2,2-trifluoroethoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nn(C)c(C)c1CCNC(=O)COCC(F)(F)F
InChIInChI=1S/C12H18F3N3O2/c1-8-10(9(2)18(3)17-8)4-5-16-11(19)6-20-7-12(13,14)15/h4-7H2,1-3H3,(H,16,19)
InChIKeyIMWJXXUDRLIDTQ-UHFFFAOYSA-N
XLogP1.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide (CID 86990512) is 2-(2,2,2-trifluoroethoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide is Cc1nn(C)c(C)c1CCNC(=O)COCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is IMWJXXUDRLIDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-8-10(9(2)18(3)17-8)4-5-16-11(19)6-20-7-12(13,14)15/h4-7H2,1-3H3,(H,16,19).
What are the key properties of 2-(2,2,2-trifluoroethoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
2-(2,2,2-trifluoroethoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 293.29 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 86990512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).