3-(fluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole

C8H13FN2O — CID 166474204

IUPAC3-(fluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole
SMILESCOCCn1cc(C)c(CF)n1
InChIInChI=1S/C8H13FN2O/c1-7-6-11(3-4-12-2)10-8(7)5-9/h6H,3-5H2,1-2H3
InChIKeyWFBNIHSFIHOBII-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.31
Rot. Bonds4

About 3-(fluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole

3-(fluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole (PubChem CID 166474204) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole.

Molecular Properties

Compound Name3-(fluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole
PubChem CID166474204
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name3-(fluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole
SMILESCOCCn1cc(C)c(CF)n1
InChIInChI=1S/C8H13FN2O/c1-7-6-11(3-4-12-2)10-8(7)5-9/h6H,3-5H2,1-2H3
InChIKeyWFBNIHSFIHOBII-UHFFFAOYSA-N
XLogP1.31
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole?
The IUPAC name of 3-(fluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole (CID 166474204) is 3-(fluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole.
What is the SMILES notation for 3-(fluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole?
The canonical SMILES for 3-(fluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole is COCCn1cc(C)c(CF)n1.
What is the InChIKey of 3-(fluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole?
The InChIKey is WFBNIHSFIHOBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-7-6-11(3-4-12-2)10-8(7)5-9/h6H,3-5H2,1-2H3.
What are the key properties of 3-(fluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole?
3-(fluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole has a molecular weight of 172.20 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole is sourced from PubChem (CID 166474204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).