3-(difluoromethoxy)-1,4-diethylpyrazole

C8H12F2N2O — CID 122546068

IUPAC3-(difluoromethoxy)-1,4-diethylpyrazole
SMILESCCc1cn(CC)nc1OC(F)F
InChIInChI=1S/C8H12F2N2O/c1-3-6-5-12(4-2)11-7(6)13-8(9)10/h5,8H,3-4H2,1-2H3
InChIKeyIYAMCEWFDVMKIP-UHFFFAOYSA-N
MW190.19 g/mol
LogP2.07
Rot. Bonds4

About 3-(difluoromethoxy)-1,4-diethylpyrazole

3-(difluoromethoxy)-1,4-diethylpyrazole (PubChem CID 122546068) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1,4-diethylpyrazole.

Molecular Properties

Compound Name3-(difluoromethoxy)-1,4-diethylpyrazole
PubChem CID122546068
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name3-(difluoromethoxy)-1,4-diethylpyrazole
SMILESCCc1cn(CC)nc1OC(F)F
InChIInChI=1S/C8H12F2N2O/c1-3-6-5-12(4-2)11-7(6)13-8(9)10/h5,8H,3-4H2,1-2H3
InChIKeyIYAMCEWFDVMKIP-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1,4-diethylpyrazole?
The IUPAC name of 3-(difluoromethoxy)-1,4-diethylpyrazole (CID 122546068) is 3-(difluoromethoxy)-1,4-diethylpyrazole.
What is the SMILES notation for 3-(difluoromethoxy)-1,4-diethylpyrazole?
The canonical SMILES for 3-(difluoromethoxy)-1,4-diethylpyrazole is CCc1cn(CC)nc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-1,4-diethylpyrazole?
The InChIKey is IYAMCEWFDVMKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-3-6-5-12(4-2)11-7(6)13-8(9)10/h5,8H,3-4H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-1,4-diethylpyrazole?
3-(difluoromethoxy)-1,4-diethylpyrazole has a molecular weight of 190.19 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1,4-diethylpyrazole is sourced from PubChem (CID 122546068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).