5-(difluoromethoxy)-1,4-dimethyl-3-(trifluoromethyl)pyrazole

C7H7F5N2O — CID 23075667

IUPAC5-(difluoromethoxy)-1,4-dimethyl-3-(trifluoromethyl)pyrazole
SMILESCc1c(C(F)(F)F)nn(C)c1OC(F)F
InChIInChI=1S/C7H7F5N2O/c1-3-4(7(10,11)12)13-14(2)5(3)15-6(8)9/h6H,1-2H3
InChIKeyAGXPLJDEOKTGGR-UHFFFAOYSA-N
MW230.14 g/mol
LogP2.35
Rot. Bonds2

About 5-(difluoromethoxy)-1,4-dimethyl-3-(trifluoromethyl)pyrazole

5-(difluoromethoxy)-1,4-dimethyl-3-(trifluoromethyl)pyrazole (PubChem CID 23075667) has the molecular formula C7H7F5N2O and a molecular weight of 230.14 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1,4-dimethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-1,4-dimethyl-3-(trifluoromethyl)pyrazole
PubChem CID23075667
Molecular FormulaC7H7F5N2O
Molecular Weight230.14 g/mol
Exact Mass230.05
IUPAC Name5-(difluoromethoxy)-1,4-dimethyl-3-(trifluoromethyl)pyrazole
SMILESCc1c(C(F)(F)F)nn(C)c1OC(F)F
InChIInChI=1S/C7H7F5N2O/c1-3-4(7(10,11)12)13-14(2)5(3)15-6(8)9/h6H,1-2H3
InChIKeyAGXPLJDEOKTGGR-UHFFFAOYSA-N
XLogP2.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1,4-dimethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(difluoromethoxy)-1,4-dimethyl-3-(trifluoromethyl)pyrazole (CID 23075667) is 5-(difluoromethoxy)-1,4-dimethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(difluoromethoxy)-1,4-dimethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(difluoromethoxy)-1,4-dimethyl-3-(trifluoromethyl)pyrazole is Cc1c(C(F)(F)F)nn(C)c1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-1,4-dimethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is AGXPLJDEOKTGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5N2O/c1-3-4(7(10,11)12)13-14(2)5(3)15-6(8)9/h6H,1-2H3.
What are the key properties of 5-(difluoromethoxy)-1,4-dimethyl-3-(trifluoromethyl)pyrazole?
5-(difluoromethoxy)-1,4-dimethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 230.14 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1,4-dimethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 23075667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).