1-[2-(difluoromethoxy)ethyl]-3,4,5-trimethylpyrazole

C9H14F2N2O — CID 166473864

IUPAC1-[2-(difluoromethoxy)ethyl]-3,4,5-trimethylpyrazole
SMILESCc1nn(CCOC(F)F)c(C)c1C
InChIInChI=1S/C9H14F2N2O/c1-6-7(2)12-13(8(6)3)4-5-14-9(10)11/h9H,4-5H2,1-3H3
InChIKeyQMAREMIIBYUOKQ-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.05
Rot. Bonds4

About 1-[2-(difluoromethoxy)ethyl]-3,4,5-trimethylpyrazole

1-[2-(difluoromethoxy)ethyl]-3,4,5-trimethylpyrazole (PubChem CID 166473864) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)ethyl]-3,4,5-trimethylpyrazole.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)ethyl]-3,4,5-trimethylpyrazole
PubChem CID166473864
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name1-[2-(difluoromethoxy)ethyl]-3,4,5-trimethylpyrazole
SMILESCc1nn(CCOC(F)F)c(C)c1C
InChIInChI=1S/C9H14F2N2O/c1-6-7(2)12-13(8(6)3)4-5-14-9(10)11/h9H,4-5H2,1-3H3
InChIKeyQMAREMIIBYUOKQ-UHFFFAOYSA-N
XLogP2.05
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyethyl)[(trimethyl-1H-pyrazol-4-yl)methyl]amine
CID 42281907
2,2,2-Trifluoro-1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 55242143
1-(Difluoromethyl)-3,4,5-trimethylpyrazole
CID 21136569
1,3,5-Trimethyl-4-(trifluoromethyl)-1H-pyrazole
CID 22980766
1,3,4-Trimethyl-5-(trifluoromethyl)pyrazole
CID 23392033
1,4,5-Trimethyl-3-(trifluoromethyl)pyrazole
CID 23392035
1-(Fluoromethyl)-3,4,5-trimethylpyrazole
CID 23392039
4-Tert-butyl-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole
CID 57813005
4-Tert-butyl-1,5-dimethyl-3-(trifluoromethyl)pyrazole
CID 57813030
3,4,5-Trimethyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 57871986
4-Tert-butyl-1,3-dimethyl-5-(trifluoromethyl)pyrazole
CID 58157507
2-[3,4-Dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 58514645

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)ethyl]-3,4,5-trimethylpyrazole?
The IUPAC name of 1-[2-(difluoromethoxy)ethyl]-3,4,5-trimethylpyrazole (CID 166473864) is 1-[2-(difluoromethoxy)ethyl]-3,4,5-trimethylpyrazole.
What is the SMILES notation for 1-[2-(difluoromethoxy)ethyl]-3,4,5-trimethylpyrazole?
The canonical SMILES for 1-[2-(difluoromethoxy)ethyl]-3,4,5-trimethylpyrazole is Cc1nn(CCOC(F)F)c(C)c1C.
What is the InChIKey of 1-[2-(difluoromethoxy)ethyl]-3,4,5-trimethylpyrazole?
The InChIKey is QMAREMIIBYUOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-6-7(2)12-13(8(6)3)4-5-14-9(10)11/h9H,4-5H2,1-3H3.
What are the key properties of 1-[2-(difluoromethoxy)ethyl]-3,4,5-trimethylpyrazole?
1-[2-(difluoromethoxy)ethyl]-3,4,5-trimethylpyrazole has a molecular weight of 204.22 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)ethyl]-3,4,5-trimethylpyrazole is sourced from PubChem (CID 166473864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).