3-(difluoromethoxy)-1,5-dimethylpyrazole

C6H8F2N2O — CID 118014942

IUPAC3-(difluoromethoxy)-1,5-dimethylpyrazole
SMILESCc1cc(OC(F)F)nn1C
InChIInChI=1S/C6H8F2N2O/c1-4-3-5(9-10(4)2)11-6(7)8/h3,6H,1-2H3
InChIKeyNBMQSNKMDDMCCT-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.33
Rot. Bonds2

About 3-(difluoromethoxy)-1,5-dimethylpyrazole

3-(difluoromethoxy)-1,5-dimethylpyrazole (PubChem CID 118014942) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1,5-dimethylpyrazole.

Molecular Properties

Compound Name3-(difluoromethoxy)-1,5-dimethylpyrazole
PubChem CID118014942
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name3-(difluoromethoxy)-1,5-dimethylpyrazole
SMILESCc1cc(OC(F)F)nn1C
InChIInChI=1S/C6H8F2N2O/c1-4-3-5(9-10(4)2)11-6(7)8/h3,6H,1-2H3
InChIKeyNBMQSNKMDDMCCT-UHFFFAOYSA-N
XLogP1.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1,5-dimethylpyrazole?
The IUPAC name of 3-(difluoromethoxy)-1,5-dimethylpyrazole (CID 118014942) is 3-(difluoromethoxy)-1,5-dimethylpyrazole.
What is the SMILES notation for 3-(difluoromethoxy)-1,5-dimethylpyrazole?
The canonical SMILES for 3-(difluoromethoxy)-1,5-dimethylpyrazole is Cc1cc(OC(F)F)nn1C.
What is the InChIKey of 3-(difluoromethoxy)-1,5-dimethylpyrazole?
The InChIKey is NBMQSNKMDDMCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-4-3-5(9-10(4)2)11-6(7)8/h3,6H,1-2H3.
What are the key properties of 3-(difluoromethoxy)-1,5-dimethylpyrazole?
3-(difluoromethoxy)-1,5-dimethylpyrazole has a molecular weight of 162.14 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1,5-dimethylpyrazole is sourced from PubChem (CID 118014942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).