1-(1-ethoxyethyl)-3-fluoro-5-methylpyrazole

C8H13FN2O — CID 171315944

IUPAC1-(1-ethoxyethyl)-3-fluoro-5-methylpyrazole
SMILESCCOC(C)n1nc(F)cc1C
InChIInChI=1S/C8H13FN2O/c1-4-12-7(3)11-6(2)5-8(9)10-11/h5,7H,4H2,1-3H3
InChIKeyFQYYPIVFGCMWOA-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.89
Rot. Bonds3

About 1-(1-ethoxyethyl)-3-fluoro-5-methylpyrazole

1-(1-ethoxyethyl)-3-fluoro-5-methylpyrazole (PubChem CID 171315944) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)-3-fluoro-5-methylpyrazole.

Molecular Properties

Compound Name1-(1-ethoxyethyl)-3-fluoro-5-methylpyrazole
PubChem CID171315944
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name1-(1-ethoxyethyl)-3-fluoro-5-methylpyrazole
SMILESCCOC(C)n1nc(F)cc1C
InChIInChI=1S/C8H13FN2O/c1-4-12-7(3)11-6(2)5-8(9)10-11/h5,7H,4H2,1-3H3
InChIKeyFQYYPIVFGCMWOA-UHFFFAOYSA-N
XLogP1.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethyl)-3-fluoro-5-methylpyrazole?
The IUPAC name of 1-(1-ethoxyethyl)-3-fluoro-5-methylpyrazole (CID 171315944) is 1-(1-ethoxyethyl)-3-fluoro-5-methylpyrazole.
What is the SMILES notation for 1-(1-ethoxyethyl)-3-fluoro-5-methylpyrazole?
The canonical SMILES for 1-(1-ethoxyethyl)-3-fluoro-5-methylpyrazole is CCOC(C)n1nc(F)cc1C.
What is the InChIKey of 1-(1-ethoxyethyl)-3-fluoro-5-methylpyrazole?
The InChIKey is FQYYPIVFGCMWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-4-12-7(3)11-6(2)5-8(9)10-11/h5,7H,4H2,1-3H3.
What are the key properties of 1-(1-ethoxyethyl)-3-fluoro-5-methylpyrazole?
1-(1-ethoxyethyl)-3-fluoro-5-methylpyrazole has a molecular weight of 172.20 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethyl)-3-fluoro-5-methylpyrazole is sourced from PubChem (CID 171315944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).