ethyl 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxylate

C11H9F3N4O2 — CID 172739245

IUPACethyl 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(-c2cncc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H9F3N4O2/c1-2-20-10(19)7-3-4-18(17-7)9-6-15-5-8(16-9)11(12,13)14/h3-6H,2H2,1H3
InChIKeyIWDXCNJNLIBINK-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.86
Rot. Bonds3

About ethyl 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxylate

ethyl 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxylate (PubChem CID 172739245) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is ethyl 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxylate
PubChem CID172739245
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Nameethyl 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(-c2cncc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H9F3N4O2/c1-2-20-10(19)7-3-4-18(17-7)9-6-15-5-8(16-9)11(12,13)14/h3-6H,2H2,1H3
InChIKeyIWDXCNJNLIBINK-UHFFFAOYSA-N
XLogP1.86
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxylate (CID 172739245) is ethyl 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxylate is CCOC(=O)c1ccn(-c2cncc(C(F)(F)F)n2)n1.
What is the InChIKey of ethyl 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxylate?
The InChIKey is IWDXCNJNLIBINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c1-2-20-10(19)7-3-4-18(17-7)9-6-15-5-8(16-9)11(12,13)14/h3-6H,2H2,1H3.
What are the key properties of ethyl 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxylate?
ethyl 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxylate has a molecular weight of 286.21 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxylate is sourced from PubChem (CID 172739245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).