3-(2,2-difluoroethoxy)-4-ethyl-1-methylpyrazole

C8H12F2N2O — CID 170376151

IUPAC3-(2,2-difluoroethoxy)-4-ethyl-1-methylpyrazole
SMILESCCc1cn(C)nc1OCC(F)F
InChIInChI=1S/C8H12F2N2O/c1-3-6-4-12(2)11-8(6)13-5-7(9)10/h4,7H,3,5H2,1-2H3
InChIKeyAWQMMQHYMJMCKL-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.63
Rot. Bonds4

About 3-(2,2-difluoroethoxy)-4-ethyl-1-methylpyrazole

3-(2,2-difluoroethoxy)-4-ethyl-1-methylpyrazole (PubChem CID 170376151) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-4-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-4-ethyl-1-methylpyrazole
PubChem CID170376151
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name3-(2,2-difluoroethoxy)-4-ethyl-1-methylpyrazole
SMILESCCc1cn(C)nc1OCC(F)F
InChIInChI=1S/C8H12F2N2O/c1-3-6-4-12(2)11-8(6)13-5-7(9)10/h4,7H,3,5H2,1-2H3
InChIKeyAWQMMQHYMJMCKL-UHFFFAOYSA-N
XLogP1.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-4-ethyl-1-methylpyrazole?
The IUPAC name of 3-(2,2-difluoroethoxy)-4-ethyl-1-methylpyrazole (CID 170376151) is 3-(2,2-difluoroethoxy)-4-ethyl-1-methylpyrazole.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-4-ethyl-1-methylpyrazole?
The canonical SMILES for 3-(2,2-difluoroethoxy)-4-ethyl-1-methylpyrazole is CCc1cn(C)nc1OCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-4-ethyl-1-methylpyrazole?
The InChIKey is AWQMMQHYMJMCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-3-6-4-12(2)11-8(6)13-5-7(9)10/h4,7H,3,5H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-4-ethyl-1-methylpyrazole?
3-(2,2-difluoroethoxy)-4-ethyl-1-methylpyrazole has a molecular weight of 190.19 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-4-ethyl-1-methylpyrazole is sourced from PubChem (CID 170376151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).