5-(2-methoxyethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole

C8H11F3N2O2 — CID 173141491

IUPAC5-(2-methoxyethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole
SMILESCOCCOCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C8H11F3N2O2/c1-14-2-3-15-5-6-4-7(13-12-6)8(9,10)11/h4H,2-3,5H2,1H3,(H,12,13)
InChIKeyRLBAZGCLIUKCIF-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.59
Rot. Bonds5

About 5-(2-methoxyethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole

5-(2-methoxyethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 173141491) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 5-(2-methoxyethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-methoxyethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole
PubChem CID173141491
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name5-(2-methoxyethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole
SMILESCOCCOCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C8H11F3N2O2/c1-14-2-3-15-5-6-4-7(13-12-6)8(9,10)11/h4H,2-3,5H2,1H3,(H,12,13)
InChIKeyRLBAZGCLIUKCIF-UHFFFAOYSA-N
XLogP1.59
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-(2-methoxyethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole (CID 173141491) is 5-(2-methoxyethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-(2-methoxyethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-(2-methoxyethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole is COCCOCc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 5-(2-methoxyethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is RLBAZGCLIUKCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-14-2-3-15-5-6-4-7(13-12-6)8(9,10)11/h4H,2-3,5H2,1H3,(H,12,13).
What are the key properties of 5-(2-methoxyethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole?
5-(2-methoxyethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 224.18 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 173141491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).