1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazole

C8H8F6N2O — CID 23075687

IUPAC1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazole
SMILESCc1c(C(F)(F)F)nn(C)c1OCC(F)(F)F
InChIInChI=1S/C8H8F6N2O/c1-4-5(8(12,13)14)15-16(2)6(4)17-3-7(9,10)11/h3H2,1-2H3
InChIKeyTXOZGFOOOOVUTJ-UHFFFAOYSA-N
MW262.15 g/mol
LogP2.69
Rot. Bonds2

About 1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazole

1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazole (PubChem CID 23075687) has the molecular formula C8H8F6N2O and a molecular weight of 262.15 g/mol. Its IUPAC name is 1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazole
PubChem CID23075687
Molecular FormulaC8H8F6N2O
Molecular Weight262.15 g/mol
Exact Mass262.05
IUPAC Name1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazole
SMILESCc1c(C(F)(F)F)nn(C)c1OCC(F)(F)F
InChIInChI=1S/C8H8F6N2O/c1-4-5(8(12,13)14)15-16(2)6(4)17-3-7(9,10)11/h3H2,1-2H3
InChIKeyTXOZGFOOOOVUTJ-UHFFFAOYSA-N
XLogP2.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 11722838
(5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)methanamine
CID 28965606
5-(2-Cyclopentylethoxy)-1,3,4-trimethylpyrazole
CID 119052331
5-Ethoxy-1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-methyl-3-(trifluoromethyl)pyrazole
CID 12545119
5-ethoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
CID 1485578
5-Methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
CID 2775266
5-ethoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 12086302
4-chloromethyl-3-methoxy-1-methyl-5-trifluoromethyl-1H-pyrazole
CID 17862881
5,5-dimethyl-3-(3-ethoxy-1-methyl-5-trifluoromethyl-1H-pyrazol-4-ylmethylthio)-2-isoxazoline
CID 17862900
5-(Difluoromethoxy)-1,3,4-trimethylpyrazole
CID 21353511
5-(Difluoromethoxy)-1,4-dimethyl-3-(trifluoromethyl)-1H-pyrazole
CID 23075667
1-tert-butyl-5-(2,2-difluoroethoxy)-3-trifluoromethyl-1H-pyrazole
CID 23075674

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazole (CID 23075687) is 1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazole is Cc1c(C(F)(F)F)nn(C)c1OCC(F)(F)F.
What is the InChIKey of 1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazole?
The InChIKey is TXOZGFOOOOVUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N2O/c1-4-5(8(12,13)14)15-16(2)6(4)17-3-7(9,10)11/h3H2,1-2H3.
What are the key properties of 1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazole?
1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazole has a molecular weight of 262.15 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 23075687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).