1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C9H11F3N2O2 — CID 103214101

IUPAC1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCCn1nccc1C(=O)COCC(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-2-14-7(3-4-13-14)8(15)5-16-6-9(10,11)12/h3-4H,2,5-6H2,1H3
InChIKeyWEQBSJCLQXHIPN-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.66
Rot. Bonds5

About 1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103214101) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103214101
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCCn1nccc1C(=O)COCC(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-2-14-7(3-4-13-14)8(15)5-16-6-9(10,11)12/h3-4H,2,5-6H2,1H3
InChIKeyWEQBSJCLQXHIPN-UHFFFAOYSA-N
XLogP1.66
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103214101) is 1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone is CCn1nccc1C(=O)COCC(F)(F)F.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is WEQBSJCLQXHIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-2-14-7(3-4-13-14)8(15)5-16-6-9(10,11)12/h3-4H,2,5-6H2,1H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 236.19 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103214101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).