ethyl 1-(5-cyanopyrazin-2-yl)pyrazole-4-carboxylate

C11H9N5O2 — CID 81498617

IUPACethyl 1-(5-cyanopyrazin-2-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cnc(C#N)cn2)c1
InChIInChI=1S/C11H9N5O2/c1-2-18-11(17)8-4-15-16(7-8)10-6-13-9(3-12)5-14-10/h4-7H,2H2,1H3
InChIKeyKIPPJBIVROCDAG-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.71
Rot. Bonds3

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

ethyl 1-(5-cyanopyrazin-2-yl)pyrazole-4-carboxylate (PubChem CID 81498617) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is ethyl 1-(5-cyanopyrazin-2-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-cyanopyrazin-2-yl)pyrazole-4-carboxylate
PubChem CID81498617
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Nameethyl 1-(5-cyanopyrazin-2-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cnc(C#N)cn2)c1
InChIInChI=1S/C11H9N5O2/c1-2-18-11(17)8-4-15-16(7-8)10-6-13-9(3-12)5-14-10/h4-7H,2H2,1H3
InChIKeyKIPPJBIVROCDAG-UHFFFAOYSA-N
XLogP0.71
TPSA93.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-cyanopyrazin-2-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(5-cyanopyrazin-2-yl)pyrazole-4-carboxylate (CID 81498617) is ethyl 1-(5-cyanopyrazin-2-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-cyanopyrazin-2-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(5-cyanopyrazin-2-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cnc(C#N)cn2)c1.
What is the InChIKey of ethyl 1-(5-cyanopyrazin-2-yl)pyrazole-4-carboxylate?
The InChIKey is KIPPJBIVROCDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-2-18-11(17)8-4-15-16(7-8)10-6-13-9(3-12)5-14-10/h4-7H,2H2,1H3.
What are the key properties of ethyl 1-(5-cyanopyrazin-2-yl)pyrazole-4-carboxylate?
ethyl 1-(5-cyanopyrazin-2-yl)pyrazole-4-carboxylate has a molecular weight of 243.23 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-cyanopyrazin-2-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 81498617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).