1-(2-methoxyethyl)-5-methyl-3-(trifluoromethyl)pyrazole

C8H11F3N2O — CID 118448421

IUPAC1-(2-methoxyethyl)-5-methyl-3-(trifluoromethyl)pyrazole
SMILESCOCCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C8H11F3N2O/c1-6-5-7(8(9,10)11)12-13(6)3-4-14-2/h5H,3-4H2,1-2H3
InChIKeyKQBLCSWXBMFDPX-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.86
Rot. Bonds3

About 1-(2-methoxyethyl)-5-methyl-3-(trifluoromethyl)pyrazole

1-(2-methoxyethyl)-5-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 118448421) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-methyl-3-(trifluoromethyl)pyrazole
PubChem CID118448421
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name1-(2-methoxyethyl)-5-methyl-3-(trifluoromethyl)pyrazole
SMILESCOCCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C8H11F3N2O/c1-6-5-7(8(9,10)11)12-13(6)3-4-14-2/h5H,3-4H2,1-2H3
InChIKeyKQBLCSWXBMFDPX-UHFFFAOYSA-N
XLogP1.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Allyl-3,5-dimethylpyrazole
CID 25930
2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 259665
2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 596118
1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester
CID 667902
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525
1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole
CID 21014234
2-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-1-morpholin-4-yl-ethanone
CID 673378
N-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2257667
1-Butyl-3,5-dimethyl-1H-pyrazole
CID 573083
2,8,9-Trioxa-5-aza-1-germabicyclo(3.3.3)undecane, 1-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-
CID 16684629
2-(3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl)acetic acid
CID 6485412
2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 17024663

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2-methoxyethyl)-5-methyl-3-(trifluoromethyl)pyrazole (CID 118448421) is 1-(2-methoxyethyl)-5-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2-methoxyethyl)-5-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2-methoxyethyl)-5-methyl-3-(trifluoromethyl)pyrazole is COCCn1nc(C(F)(F)F)cc1C.
What is the InChIKey of 1-(2-methoxyethyl)-5-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is KQBLCSWXBMFDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-6-5-7(8(9,10)11)12-13(6)3-4-14-2/h5H,3-4H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-5-methyl-3-(trifluoromethyl)pyrazole?
1-(2-methoxyethyl)-5-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 208.18 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 118448421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).