dimethyl 1-(2-methoxyethyl)-5-methylpyrazole-3,4-dicarboxylate

C11H16N2O5 — CID 606517

IUPACdimethyl 1-(2-methoxyethyl)-5-methylpyrazole-3,4-dicarboxylate
SMILESCOCCn1nc(C(=O)OC)c(C(=O)OC)c1C
InChIInChI=1S/C11H16N2O5/c1-7-8(10(14)17-3)9(11(15)18-4)12-13(7)5-6-16-2/h5-6H2,1-4H3
InChIKeyIYIDAJJUGLLGOR-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.41
Rot. Bonds5

About dimethyl 1-(2-methoxyethyl)-5-methylpyrazole-3,4-dicarboxylate

dimethyl 1-(2-methoxyethyl)-5-methylpyrazole-3,4-dicarboxylate (PubChem CID 606517) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is dimethyl 1-(2-methoxyethyl)-5-methylpyrazole-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-(2-methoxyethyl)-5-methylpyrazole-3,4-dicarboxylate
PubChem CID606517
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Namedimethyl 1-(2-methoxyethyl)-5-methylpyrazole-3,4-dicarboxylate
SMILESCOCCn1nc(C(=O)OC)c(C(=O)OC)c1C
InChIInChI=1S/C11H16N2O5/c1-7-8(10(14)17-3)9(11(15)18-4)12-13(7)5-6-16-2/h5-6H2,1-4H3
InChIKeyIYIDAJJUGLLGOR-UHFFFAOYSA-N
XLogP0.41
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-(2-methoxyethyl)-5-methylpyrazole-3,4-dicarboxylate?
The IUPAC name of dimethyl 1-(2-methoxyethyl)-5-methylpyrazole-3,4-dicarboxylate (CID 606517) is dimethyl 1-(2-methoxyethyl)-5-methylpyrazole-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 1-(2-methoxyethyl)-5-methylpyrazole-3,4-dicarboxylate?
The canonical SMILES for dimethyl 1-(2-methoxyethyl)-5-methylpyrazole-3,4-dicarboxylate is COCCn1nc(C(=O)OC)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 1-(2-methoxyethyl)-5-methylpyrazole-3,4-dicarboxylate?
The InChIKey is IYIDAJJUGLLGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-7-8(10(14)17-3)9(11(15)18-4)12-13(7)5-6-16-2/h5-6H2,1-4H3.
What are the key properties of dimethyl 1-(2-methoxyethyl)-5-methylpyrazole-3,4-dicarboxylate?
dimethyl 1-(2-methoxyethyl)-5-methylpyrazole-3,4-dicarboxylate has a molecular weight of 256.26 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-(2-methoxyethyl)-5-methylpyrazole-3,4-dicarboxylate is sourced from PubChem (CID 606517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).