2,2,2-trifluoro-1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone

C10H13F3N2O2 — CID 55242143

IUPAC2,2,2-trifluoro-1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone
SMILESCOCCn1nc(C)c(C(=O)C(F)(F)F)c1C
InChIInChI=1S/C10H13F3N2O2/c1-6-8(9(16)10(11,12)13)7(2)15(14-6)4-5-17-3/h4-5H2,1-3H3
InChIKeyHGUXFRQGKWOELB-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.89
Rot. Bonds4

About 2,2,2-trifluoro-1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone

2,2,2-trifluoro-1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone (PubChem CID 55242143) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone
PubChem CID55242143
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name2,2,2-trifluoro-1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone
SMILESCOCCn1nc(C)c(C(=O)C(F)(F)F)c1C
InChIInChI=1S/C10H13F3N2O2/c1-6-8(9(16)10(11,12)13)7(2)15(14-6)4-5-17-3/h4-5H2,1-3H3
InChIKeyHGUXFRQGKWOELB-UHFFFAOYSA-N
XLogP1.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone (CID 55242143) is 2,2,2-trifluoro-1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone is COCCn1nc(C)c(C(=O)C(F)(F)F)c1C.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone?
The InChIKey is HGUXFRQGKWOELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-6-8(9(16)10(11,12)13)7(2)15(14-6)4-5-17-3/h4-5H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone?
2,2,2-trifluoro-1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone has a molecular weight of 250.22 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone is sourced from PubChem (CID 55242143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).