ethyl 5-bromo-1-(2-fluoroethyl)pyrazole-4-carboxylate

C8H10BrFN2O2 — CID 164719283

IUPACethyl 5-bromo-1-(2-fluoroethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCF)c1Br
InChIInChI=1S/C8H10BrFN2O2/c1-2-14-8(13)6-5-11-12(4-3-10)7(6)9/h5H,2-4H2,1H3
InChIKeyZQPDZKYEBAUNOW-UHFFFAOYSA-N
MW265.08 g/mol
LogP1.79
Rot. Bonds4

About ethyl 5-bromo-1-(2-fluoroethyl)pyrazole-4-carboxylate

ethyl 5-bromo-1-(2-fluoroethyl)pyrazole-4-carboxylate (PubChem CID 164719283) has the molecular formula C8H10BrFN2O2 and a molecular weight of 265.08 g/mol. Its IUPAC name is ethyl 5-bromo-1-(2-fluoroethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-1-(2-fluoroethyl)pyrazole-4-carboxylate
PubChem CID164719283
Molecular FormulaC8H10BrFN2O2
Molecular Weight265.08 g/mol
Exact Mass263.99
IUPAC Nameethyl 5-bromo-1-(2-fluoroethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCF)c1Br
InChIInChI=1S/C8H10BrFN2O2/c1-2-14-8(13)6-5-11-12(4-3-10)7(6)9/h5H,2-4H2,1H3
InChIKeyZQPDZKYEBAUNOW-UHFFFAOYSA-N
XLogP1.79
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.08
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-1-(2-fluoroethyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-bromo-1-(2-fluoroethyl)pyrazole-4-carboxylate (CID 164719283) is ethyl 5-bromo-1-(2-fluoroethyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-bromo-1-(2-fluoroethyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-bromo-1-(2-fluoroethyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(CCF)c1Br.
What is the InChIKey of ethyl 5-bromo-1-(2-fluoroethyl)pyrazole-4-carboxylate?
The InChIKey is ZQPDZKYEBAUNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2O2/c1-2-14-8(13)6-5-11-12(4-3-10)7(6)9/h5H,2-4H2,1H3.
What are the key properties of ethyl 5-bromo-1-(2-fluoroethyl)pyrazole-4-carboxylate?
ethyl 5-bromo-1-(2-fluoroethyl)pyrazole-4-carboxylate has a molecular weight of 265.08 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-1-(2-fluoroethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 164719283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).