4-fluoro-1-(2-methoxyethyl)-5-propan-2-ylpyrazole

C9H15FN2O — CID 176691939

IUPAC4-fluoro-1-(2-methoxyethyl)-5-propan-2-ylpyrazole
SMILESCOCCn1ncc(F)c1C(C)C
InChIInChI=1S/C9H15FN2O/c1-7(2)9-8(10)6-11-12(9)4-5-13-3/h6-7H,4-5H2,1-3H3
InChIKeyGQOFMEGEGFEENY-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.79
Rot. Bonds4

About 4-fluoro-1-(2-methoxyethyl)-5-propan-2-ylpyrazole

4-fluoro-1-(2-methoxyethyl)-5-propan-2-ylpyrazole (PubChem CID 176691939) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 4-fluoro-1-(2-methoxyethyl)-5-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-fluoro-1-(2-methoxyethyl)-5-propan-2-ylpyrazole
PubChem CID176691939
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name4-fluoro-1-(2-methoxyethyl)-5-propan-2-ylpyrazole
SMILESCOCCn1ncc(F)c1C(C)C
InChIInChI=1S/C9H15FN2O/c1-7(2)9-8(10)6-11-12(9)4-5-13-3/h6-7H,4-5H2,1-3H3
InChIKeyGQOFMEGEGFEENY-UHFFFAOYSA-N
XLogP1.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-methoxyethyl)-5-propan-2-ylpyrazole?
The IUPAC name of 4-fluoro-1-(2-methoxyethyl)-5-propan-2-ylpyrazole (CID 176691939) is 4-fluoro-1-(2-methoxyethyl)-5-propan-2-ylpyrazole.
What is the SMILES notation for 4-fluoro-1-(2-methoxyethyl)-5-propan-2-ylpyrazole?
The canonical SMILES for 4-fluoro-1-(2-methoxyethyl)-5-propan-2-ylpyrazole is COCCn1ncc(F)c1C(C)C.
What is the InChIKey of 4-fluoro-1-(2-methoxyethyl)-5-propan-2-ylpyrazole?
The InChIKey is GQOFMEGEGFEENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-7(2)9-8(10)6-11-12(9)4-5-13-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-fluoro-1-(2-methoxyethyl)-5-propan-2-ylpyrazole?
4-fluoro-1-(2-methoxyethyl)-5-propan-2-ylpyrazole has a molecular weight of 186.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-methoxyethyl)-5-propan-2-ylpyrazole is sourced from PubChem (CID 176691939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).