N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide

C10H14F3N3O — CID 19462907

IUPACN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESCCn1cc(C(C)NC(=O)C(F)(F)F)c(C)n1
InChIInChI=1S/C10H14F3N3O/c1-4-16-5-8(7(3)15-16)6(2)14-9(17)10(11,12)13/h5-6H,4H2,1-3H3,(H,14,17)
InChIKeyLGWSTTCDJNMMCU-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.95
Rot. Bonds3

About N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 19462907) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID19462907
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESCCn1cc(C(C)NC(=O)C(F)(F)F)c(C)n1
InChIInChI=1S/C10H14F3N3O/c1-4-16-5-8(7(3)15-16)6(2)14-9(17)10(11,12)13/h5-6H,4H2,1-3H3,(H,14,17)
InChIKeyLGWSTTCDJNMMCU-UHFFFAOYSA-N
XLogP1.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide (CID 19462907) is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide is CCn1cc(C(C)NC(=O)C(F)(F)F)c(C)n1.
What is the InChIKey of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is LGWSTTCDJNMMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-4-16-5-8(7(3)15-16)6(2)14-9(17)10(11,12)13/h5-6H,4H2,1-3H3,(H,14,17).
What are the key properties of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide?
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 249.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 19462907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).