3-(fluoromethyl)-1,4-dimethylpyrazole

C6H9FN2 — CID 59403296

IUPAC3-(fluoromethyl)-1,4-dimethylpyrazole
SMILESCc1cn(C)nc1CF
InChIInChI=1S/C6H9FN2/c1-5-4-9(2)8-6(5)3-7/h4H,3H2,1-2H3
InChIKeyZIHGTZVQAUBZLL-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.20
Rot. Bonds1

About 3-(fluoromethyl)-1,4-dimethylpyrazole

3-(fluoromethyl)-1,4-dimethylpyrazole (PubChem CID 59403296) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 3-(fluoromethyl)-1,4-dimethylpyrazole.

Molecular Properties

Compound Name3-(fluoromethyl)-1,4-dimethylpyrazole
PubChem CID59403296
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name3-(fluoromethyl)-1,4-dimethylpyrazole
SMILESCc1cn(C)nc1CF
InChIInChI=1S/C6H9FN2/c1-5-4-9(2)8-6(5)3-7/h4H,3H2,1-2H3
InChIKeyZIHGTZVQAUBZLL-UHFFFAOYSA-N
XLogP1.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1,4-dimethylpyrazole?
The IUPAC name of 3-(fluoromethyl)-1,4-dimethylpyrazole (CID 59403296) is 3-(fluoromethyl)-1,4-dimethylpyrazole.
What is the SMILES notation for 3-(fluoromethyl)-1,4-dimethylpyrazole?
The canonical SMILES for 3-(fluoromethyl)-1,4-dimethylpyrazole is Cc1cn(C)nc1CF.
What is the InChIKey of 3-(fluoromethyl)-1,4-dimethylpyrazole?
The InChIKey is ZIHGTZVQAUBZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c1-5-4-9(2)8-6(5)3-7/h4H,3H2,1-2H3.
What are the key properties of 3-(fluoromethyl)-1,4-dimethylpyrazole?
3-(fluoromethyl)-1,4-dimethylpyrazole has a molecular weight of 128.15 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1,4-dimethylpyrazole is sourced from PubChem (CID 59403296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).