N-[(2-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoroacetamide

C8H10F3N3O — CID 19294603

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCCn1nccc1CNC(=O)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-2-14-6(3-4-13-14)5-12-7(15)8(9,10)11/h3-4H,2,5H2,1H3,(H,12,15)
InChIKeyVJRPJFPFJIXKEV-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.08
Rot. Bonds3

About N-[(2-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoroacetamide

N-[(2-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 19294603) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID19294603
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCCn1nccc1CNC(=O)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-2-14-6(3-4-13-14)5-12-7(15)8(9,10)11/h3-4H,2,5H2,1H3,(H,12,15)
InChIKeyVJRPJFPFJIXKEV-UHFFFAOYSA-N
XLogP1.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoroacetamide (CID 19294603) is N-[(2-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoroacetamide is CCn1nccc1CNC(=O)C(F)(F)F.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is VJRPJFPFJIXKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-2-14-6(3-4-13-14)5-12-7(15)8(9,10)11/h3-4H,2,5H2,1H3,(H,12,15).
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(2-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 221.18 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 19294603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).