3-ethyl-5-fluoro-1,4-dimethylpyrazole

C7H11FN2 — CID 59439433

IUPAC3-ethyl-5-fluoro-1,4-dimethylpyrazole
SMILESCCc1nn(C)c(F)c1C
InChIInChI=1S/C7H11FN2/c1-4-6-5(2)7(8)10(3)9-6/h4H2,1-3H3
InChIKeyINFLSQBCLVAHND-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.43
Rot. Bonds1

About 3-ethyl-5-fluoro-1,4-dimethylpyrazole

3-ethyl-5-fluoro-1,4-dimethylpyrazole (PubChem CID 59439433) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-1,4-dimethylpyrazole.

Molecular Properties

Compound Name3-ethyl-5-fluoro-1,4-dimethylpyrazole
PubChem CID59439433
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name3-ethyl-5-fluoro-1,4-dimethylpyrazole
SMILESCCc1nn(C)c(F)c1C
InChIInChI=1S/C7H11FN2/c1-4-6-5(2)7(8)10(3)9-6/h4H2,1-3H3
InChIKeyINFLSQBCLVAHND-UHFFFAOYSA-N
XLogP1.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-1,4-dimethylpyrazole?
The IUPAC name of 3-ethyl-5-fluoro-1,4-dimethylpyrazole (CID 59439433) is 3-ethyl-5-fluoro-1,4-dimethylpyrazole.
What is the SMILES notation for 3-ethyl-5-fluoro-1,4-dimethylpyrazole?
The canonical SMILES for 3-ethyl-5-fluoro-1,4-dimethylpyrazole is CCc1nn(C)c(F)c1C.
What is the InChIKey of 3-ethyl-5-fluoro-1,4-dimethylpyrazole?
The InChIKey is INFLSQBCLVAHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-4-6-5(2)7(8)10(3)9-6/h4H2,1-3H3.
What are the key properties of 3-ethyl-5-fluoro-1,4-dimethylpyrazole?
3-ethyl-5-fluoro-1,4-dimethylpyrazole has a molecular weight of 142.18 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-1,4-dimethylpyrazole is sourced from PubChem (CID 59439433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).