5-(difluoromethoxy)-1,3,4-trimethylpyrazole

C7H10F2N2O — CID 21353511

IUPAC5-(difluoromethoxy)-1,3,4-trimethylpyrazole
SMILESCc1nn(C)c(OC(F)F)c1C
InChIInChI=1S/C7H10F2N2O/c1-4-5(2)10-11(3)6(4)12-7(8)9/h7H,1-3H3
InChIKeyGNCZUHADCJNJMG-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.64
Rot. Bonds2

About 5-(difluoromethoxy)-1,3,4-trimethylpyrazole

5-(difluoromethoxy)-1,3,4-trimethylpyrazole (PubChem CID 21353511) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1,3,4-trimethylpyrazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-1,3,4-trimethylpyrazole
PubChem CID21353511
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name5-(difluoromethoxy)-1,3,4-trimethylpyrazole
SMILESCc1nn(C)c(OC(F)F)c1C
InChIInChI=1S/C7H10F2N2O/c1-4-5(2)10-11(3)6(4)12-7(8)9/h7H,1-3H3
InChIKeyGNCZUHADCJNJMG-UHFFFAOYSA-N
XLogP1.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1,3,4-trimethylpyrazole?
The IUPAC name of 5-(difluoromethoxy)-1,3,4-trimethylpyrazole (CID 21353511) is 5-(difluoromethoxy)-1,3,4-trimethylpyrazole.
What is the SMILES notation for 5-(difluoromethoxy)-1,3,4-trimethylpyrazole?
The canonical SMILES for 5-(difluoromethoxy)-1,3,4-trimethylpyrazole is Cc1nn(C)c(OC(F)F)c1C.
What is the InChIKey of 5-(difluoromethoxy)-1,3,4-trimethylpyrazole?
The InChIKey is GNCZUHADCJNJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-4-5(2)10-11(3)6(4)12-7(8)9/h7H,1-3H3.
What are the key properties of 5-(difluoromethoxy)-1,3,4-trimethylpyrazole?
5-(difluoromethoxy)-1,3,4-trimethylpyrazole has a molecular weight of 176.17 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1,3,4-trimethylpyrazole is sourced from PubChem (CID 21353511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).