5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole

C8H11F3N2O — CID 122170871

IUPAC5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCCOCc1ccnn1CC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-2-14-5-7-3-4-12-13(7)6-8(9,10)11/h3-4H,2,5-6H2,1H3
InChIKeyUEZJCEBHNZFIGW-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.98
Rot. Bonds4

About 5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole

5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 122170871) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID122170871
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCCOCc1ccnn1CC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-2-14-5-7-3-4-12-13(7)6-8(9,10)11/h3-4H,2,5-6H2,1H3
InChIKeyUEZJCEBHNZFIGW-UHFFFAOYSA-N
XLogP1.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11815316
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CID 50896840
(1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)methanol
CID 60136443
(2-Butyl-2H-Pyrazol-3-Yl)-Methanol
CID 86767428
1-(Difluoromethyl)-1H-pyrazole-5-methanol
CID 50896822
[1-(2-fluoroethyl)-1H-pyrazol-5-yl]methanol
CID 84648939
4-iodo-5-(methoxymethyl)-1-methyl-1H-pyrazole
CID 122170948
3-Fluoro-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 154722197
4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine
CID 13913100
1-Methylpyrazole-5-aldehyde diethyl acetal
CID 15533127
4h-Pyrazolo[5,1-c][1,4]oxazine
CID 91520294

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole (CID 122170871) is 5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole is CCOCc1ccnn1CC(F)(F)F.
What is the InChIKey of 5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is UEZJCEBHNZFIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-2-14-5-7-3-4-12-13(7)6-8(9,10)11/h3-4H,2,5-6H2,1H3.
What are the key properties of 5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole?
5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 208.18 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 122170871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).