3-(fluoromethoxy)-1-methylpyrazole

C5H7FN2O — CID 70195105

IUPAC3-(fluoromethoxy)-1-methylpyrazole
SMILESCn1ccc(OCF)n1
InChIInChI=1S/C5H7FN2O/c1-8-3-2-5(7-8)9-4-6/h2-3H,4H2,1H3
InChIKeyIWCDPOOXRAMUMJ-UHFFFAOYSA-N
MW130.12 g/mol
LogP0.73
Rot. Bonds2

About 3-(fluoromethoxy)-1-methylpyrazole

3-(fluoromethoxy)-1-methylpyrazole (PubChem CID 70195105) has the molecular formula C5H7FN2O and a molecular weight of 130.12 g/mol. Its IUPAC name is 3-(fluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name3-(fluoromethoxy)-1-methylpyrazole
PubChem CID70195105
Molecular FormulaC5H7FN2O
Molecular Weight130.12 g/mol
Exact Mass130.05
IUPAC Name3-(fluoromethoxy)-1-methylpyrazole
SMILESCn1ccc(OCF)n1
InChIInChI=1S/C5H7FN2O/c1-8-3-2-5(7-8)9-4-6/h2-3H,4H2,1H3
InChIKeyIWCDPOOXRAMUMJ-UHFFFAOYSA-N
XLogP0.73
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethoxy)-1-methylpyrazole?
The IUPAC name of 3-(fluoromethoxy)-1-methylpyrazole (CID 70195105) is 3-(fluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 3-(fluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 3-(fluoromethoxy)-1-methylpyrazole is Cn1ccc(OCF)n1.
What is the InChIKey of 3-(fluoromethoxy)-1-methylpyrazole?
The InChIKey is IWCDPOOXRAMUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2O/c1-8-3-2-5(7-8)9-4-6/h2-3H,4H2,1H3.
What are the key properties of 3-(fluoromethoxy)-1-methylpyrazole?
3-(fluoromethoxy)-1-methylpyrazole has a molecular weight of 130.12 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 70195105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).