ethyl 1-pyrazin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate

C11H9F3N4O2 — CID 146285137

IUPACethyl 1-pyrazin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cnccn2)c1C(F)(F)F
InChIInChI=1S/C11H9F3N4O2/c1-2-20-10(19)7-5-17-18(9(7)11(12,13)14)8-6-15-3-4-16-8/h3-6H,2H2,1H3
InChIKeyKLNNDMZBKRJTHU-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.86
Rot. Bonds3

About ethyl 1-pyrazin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate

ethyl 1-pyrazin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate (PubChem CID 146285137) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is ethyl 1-pyrazin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-pyrazin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate
PubChem CID146285137
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Nameethyl 1-pyrazin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cnccn2)c1C(F)(F)F
InChIInChI=1S/C11H9F3N4O2/c1-2-20-10(19)7-5-17-18(9(7)11(12,13)14)8-6-15-3-4-16-8/h3-6H,2H2,1H3
InChIKeyKLNNDMZBKRJTHU-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-pyrazin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-pyrazin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate (CID 146285137) is ethyl 1-pyrazin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-pyrazin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-pyrazin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cnccn2)c1C(F)(F)F.
What is the InChIKey of ethyl 1-pyrazin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate?
The InChIKey is KLNNDMZBKRJTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c1-2-20-10(19)7-5-17-18(9(7)11(12,13)14)8-6-15-3-4-16-8/h3-6H,2H2,1H3.
What are the key properties of ethyl 1-pyrazin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate?
ethyl 1-pyrazin-2-yl-5-(trifluoromethyl)pyrazole-4-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-pyrazin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 146285137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).