ethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C9H11N3O3 — CID 42873667

IUPACethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CCNC2=O
InChIInChI=1S/C9H11N3O3/c1-2-15-9(14)6-5-7-8(13)10-3-4-12(7)11-6/h5H,2-4H2,1H3,(H,10,13)
InChIKeyRNMVWTOANIAUAU-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.20
Rot. Bonds2

About ethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate

ethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 42873667) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is ethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID42873667
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Nameethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CCNC2=O
InChIInChI=1S/C9H11N3O3/c1-2-15-9(14)6-5-7-8(13)10-3-4-12(7)11-6/h5H,2-4H2,1H3,(H,10,13)
InChIKeyRNMVWTOANIAUAU-UHFFFAOYSA-N
XLogP-0.20
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 42873667) is ethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2n(n1)CCNC2=O.
What is the InChIKey of ethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is RNMVWTOANIAUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-2-15-9(14)6-5-7-8(13)10-3-4-12(7)11-6/h5H,2-4H2,1H3,(H,10,13).
What are the key properties of ethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
ethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 209.20 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 42873667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).