3-ethoxy-4-fluoro-5-methyl-1H-pyrazole

C6H9FN2O — CID 68572579

IUPAC3-ethoxy-4-fluoro-5-methyl-1H-pyrazole
SMILESCCOc1n[nH]c(C)c1F
InChIInChI=1S/C6H9FN2O/c1-3-10-6-5(7)4(2)8-9-6/h3H2,1-2H3,(H,8,9)
InChIKeyMXENLMFIZZLDOG-UHFFFAOYSA-N
MW144.15 g/mol
LogP1.26
Rot. Bonds2

About 3-ethoxy-4-fluoro-5-methyl-1H-pyrazole

3-ethoxy-4-fluoro-5-methyl-1H-pyrazole (PubChem CID 68572579) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is 3-ethoxy-4-fluoro-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-ethoxy-4-fluoro-5-methyl-1H-pyrazole
PubChem CID68572579
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name3-ethoxy-4-fluoro-5-methyl-1H-pyrazole
SMILESCCOc1n[nH]c(C)c1F
InChIInChI=1S/C6H9FN2O/c1-3-10-6-5(7)4(2)8-9-6/h3H2,1-2H3,(H,8,9)
InChIKeyMXENLMFIZZLDOG-UHFFFAOYSA-N
XLogP1.26
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-fluoro-5-methyl-1H-pyrazole?
The IUPAC name of 3-ethoxy-4-fluoro-5-methyl-1H-pyrazole (CID 68572579) is 3-ethoxy-4-fluoro-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-ethoxy-4-fluoro-5-methyl-1H-pyrazole?
The canonical SMILES for 3-ethoxy-4-fluoro-5-methyl-1H-pyrazole is CCOc1n[nH]c(C)c1F.
What is the InChIKey of 3-ethoxy-4-fluoro-5-methyl-1H-pyrazole?
The InChIKey is MXENLMFIZZLDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O/c1-3-10-6-5(7)4(2)8-9-6/h3H2,1-2H3,(H,8,9).
What are the key properties of 3-ethoxy-4-fluoro-5-methyl-1H-pyrazole?
3-ethoxy-4-fluoro-5-methyl-1H-pyrazole has a molecular weight of 144.15 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-fluoro-5-methyl-1H-pyrazole is sourced from PubChem (CID 68572579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).