ethyl 3-oxo-2H-indazole-1-carboxylate

C10H10N2O3 — CID 584113

IUPACethyl 3-oxo-2H-indazole-1-carboxylate
SMILESCCOC(=O)n1[nH]c(=O)c2ccccc21
InChIInChI=1S/C10H10N2O3/c1-2-15-10(14)12-8-6-4-3-5-7(8)9(13)11-12/h3-6H,2H2,1H3,(H,11,13)
InChIKeyRFZCKRFBTMJGTK-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.33
Rot. Bonds1

About ethyl 3-oxo-2H-indazole-1-carboxylate

ethyl 3-oxo-2H-indazole-1-carboxylate (PubChem CID 584113) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is ethyl 3-oxo-2H-indazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-oxo-2H-indazole-1-carboxylate
PubChem CID584113
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Nameethyl 3-oxo-2H-indazole-1-carboxylate
SMILESCCOC(=O)n1[nH]c(=O)c2ccccc21
InChIInChI=1S/C10H10N2O3/c1-2-15-10(14)12-8-6-4-3-5-7(8)9(13)11-12/h3-6H,2H2,1H3,(H,11,13)
InChIKeyRFZCKRFBTMJGTK-UHFFFAOYSA-N
XLogP1.33
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-2H-indazole-1-carboxylate?
The IUPAC name of ethyl 3-oxo-2H-indazole-1-carboxylate (CID 584113) is ethyl 3-oxo-2H-indazole-1-carboxylate.
What is the SMILES notation for ethyl 3-oxo-2H-indazole-1-carboxylate?
The canonical SMILES for ethyl 3-oxo-2H-indazole-1-carboxylate is CCOC(=O)n1[nH]c(=O)c2ccccc21.
What is the InChIKey of ethyl 3-oxo-2H-indazole-1-carboxylate?
The InChIKey is RFZCKRFBTMJGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-15-10(14)12-8-6-4-3-5-7(8)9(13)11-12/h3-6H,2H2,1H3,(H,11,13).
What are the key properties of ethyl 3-oxo-2H-indazole-1-carboxylate?
ethyl 3-oxo-2H-indazole-1-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-2H-indazole-1-carboxylate is sourced from PubChem (CID 584113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).