ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate

C13H10N2O3 — CID 154276205

IUPACethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate
SMILESCCOC(=O)c1[nH]nc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C13H10N2O3/c1-2-18-13(17)11-9-10(14-15-11)7-5-3-4-6-8(7)12(9)16/h3-6H,2H2,1H3,(H,14,15)
InChIKeyLXBGGLIAIIYFCE-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.80
Rot. Bonds2

About ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate

ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate (PubChem CID 154276205) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate
PubChem CID154276205
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Nameethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate
SMILESCCOC(=O)c1[nH]nc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C13H10N2O3/c1-2-18-13(17)11-9-10(14-15-11)7-5-3-4-6-8(7)12(9)16/h3-6H,2H2,1H3,(H,14,15)
InChIKeyLXBGGLIAIIYFCE-UHFFFAOYSA-N
XLogP1.80
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 17,24-dioxo-15-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-26-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate?
The IUPAC name of ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate (CID 154276205) is ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate is CCOC(=O)c1[nH]nc2c1C(=O)c1ccccc1-2.
What is the InChIKey of ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate?
The InChIKey is LXBGGLIAIIYFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-2-18-13(17)11-9-10(14-15-11)7-5-3-4-6-8(7)12(9)16/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate?
ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate has a molecular weight of 242.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate is sourced from PubChem (CID 154276205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).