5-ethoxy-1-ethyl-4-fluoropyrazole

C7H11FN2O — CID 141420740

IUPAC5-ethoxy-1-ethyl-4-fluoropyrazole
SMILESCCOc1c(F)cnn1CC
InChIInChI=1S/C7H11FN2O/c1-3-10-7(11-4-2)6(8)5-9-10/h5H,3-4H2,1-2H3
InChIKeyRVWKHANPUIVPCT-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.44
Rot. Bonds3

About 5-ethoxy-1-ethyl-4-fluoropyrazole

5-ethoxy-1-ethyl-4-fluoropyrazole (PubChem CID 141420740) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 5-ethoxy-1-ethyl-4-fluoropyrazole.

Molecular Properties

Compound Name5-ethoxy-1-ethyl-4-fluoropyrazole
PubChem CID141420740
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name5-ethoxy-1-ethyl-4-fluoropyrazole
SMILESCCOc1c(F)cnn1CC
InChIInChI=1S/C7H11FN2O/c1-3-10-7(11-4-2)6(8)5-9-10/h5H,3-4H2,1-2H3
InChIKeyRVWKHANPUIVPCT-UHFFFAOYSA-N
XLogP1.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-ethyl-4-fluoropyrazole?
The IUPAC name of 5-ethoxy-1-ethyl-4-fluoropyrazole (CID 141420740) is 5-ethoxy-1-ethyl-4-fluoropyrazole.
What is the SMILES notation for 5-ethoxy-1-ethyl-4-fluoropyrazole?
The canonical SMILES for 5-ethoxy-1-ethyl-4-fluoropyrazole is CCOc1c(F)cnn1CC.
What is the InChIKey of 5-ethoxy-1-ethyl-4-fluoropyrazole?
The InChIKey is RVWKHANPUIVPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-3-10-7(11-4-2)6(8)5-9-10/h5H,3-4H2,1-2H3.
What are the key properties of 5-ethoxy-1-ethyl-4-fluoropyrazole?
5-ethoxy-1-ethyl-4-fluoropyrazole has a molecular weight of 158.18 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-ethyl-4-fluoropyrazole is sourced from PubChem (CID 141420740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).