4-ethyl-5-fluoro-1-methylpyrazole

C6H9FN2 — CID 84716079

IUPAC4-ethyl-5-fluoro-1-methylpyrazole
SMILESCCc1cnn(C)c1F
InChIInChI=1S/C6H9FN2/c1-3-5-4-8-9(2)6(5)7/h4H,3H2,1-2H3
InChIKeyBQRISFMZTDVQRS-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.12
Rot. Bonds1

About 4-ethyl-5-fluoro-1-methylpyrazole

4-ethyl-5-fluoro-1-methylpyrazole (PubChem CID 84716079) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-1-methylpyrazole.

Molecular Properties

Compound Name4-ethyl-5-fluoro-1-methylpyrazole
PubChem CID84716079
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name4-ethyl-5-fluoro-1-methylpyrazole
SMILESCCc1cnn(C)c1F
InChIInChI=1S/C6H9FN2/c1-3-5-4-8-9(2)6(5)7/h4H,3H2,1-2H3
InChIKeyBQRISFMZTDVQRS-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-1-methylpyrazole?
The IUPAC name of 4-ethyl-5-fluoro-1-methylpyrazole (CID 84716079) is 4-ethyl-5-fluoro-1-methylpyrazole.
What is the SMILES notation for 4-ethyl-5-fluoro-1-methylpyrazole?
The canonical SMILES for 4-ethyl-5-fluoro-1-methylpyrazole is CCc1cnn(C)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-1-methylpyrazole?
The InChIKey is BQRISFMZTDVQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c1-3-5-4-8-9(2)6(5)7/h4H,3H2,1-2H3.
What are the key properties of 4-ethyl-5-fluoro-1-methylpyrazole?
4-ethyl-5-fluoro-1-methylpyrazole has a molecular weight of 128.15 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-1-methylpyrazole is sourced from PubChem (CID 84716079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).