methyl 1-(2-methoxy-2-oxoethyl)imidazo[2,1-e]pyrazole-6-carboxylate

C10H11N3O4 — CID 121215024

IUPACmethyl 1-(2-methoxy-2-oxoethyl)imidazo[2,1-e]pyrazole-6-carboxylate
SMILESCOC(=O)Cn1ccn2nc(C(=O)OC)cc12
InChIInChI=1S/C10H11N3O4/c1-16-9(14)6-12-3-4-13-8(12)5-7(11-13)10(15)17-2/h3-5H,6H2,1-2H3
InChIKeyHURHPMYWUOWNJJ-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.10
Rot. Bonds3

About methyl 1-(2-methoxy-2-oxoethyl)imidazo[2,1-e]pyrazole-6-carboxylate

methyl 1-(2-methoxy-2-oxoethyl)imidazo[2,1-e]pyrazole-6-carboxylate (PubChem CID 121215024) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is methyl 1-(2-methoxy-2-oxoethyl)imidazo[2,1-e]pyrazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxy-2-oxoethyl)imidazo[2,1-e]pyrazole-6-carboxylate
PubChem CID121215024
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Namemethyl 1-(2-methoxy-2-oxoethyl)imidazo[2,1-e]pyrazole-6-carboxylate
SMILESCOC(=O)Cn1ccn2nc(C(=O)OC)cc12
InChIInChI=1S/C10H11N3O4/c1-16-9(14)6-12-3-4-13-8(12)5-7(11-13)10(15)17-2/h3-5H,6H2,1-2H3
InChIKeyHURHPMYWUOWNJJ-UHFFFAOYSA-N
XLogP0.10
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxy-2-oxoethyl)imidazo[2,1-e]pyrazole-6-carboxylate?
The IUPAC name of methyl 1-(2-methoxy-2-oxoethyl)imidazo[2,1-e]pyrazole-6-carboxylate (CID 121215024) is methyl 1-(2-methoxy-2-oxoethyl)imidazo[2,1-e]pyrazole-6-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxy-2-oxoethyl)imidazo[2,1-e]pyrazole-6-carboxylate?
The canonical SMILES for methyl 1-(2-methoxy-2-oxoethyl)imidazo[2,1-e]pyrazole-6-carboxylate is COC(=O)Cn1ccn2nc(C(=O)OC)cc12.
What is the InChIKey of methyl 1-(2-methoxy-2-oxoethyl)imidazo[2,1-e]pyrazole-6-carboxylate?
The InChIKey is HURHPMYWUOWNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-16-9(14)6-12-3-4-13-8(12)5-7(11-13)10(15)17-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 1-(2-methoxy-2-oxoethyl)imidazo[2,1-e]pyrazole-6-carboxylate?
methyl 1-(2-methoxy-2-oxoethyl)imidazo[2,1-e]pyrazole-6-carboxylate has a molecular weight of 237.22 g/mol, XLogP of 0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxy-2-oxoethyl)imidazo[2,1-e]pyrazole-6-carboxylate is sourced from PubChem (CID 121215024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).