7-ethoxy-3-ethyl-2H-indazole-5-carboxylic acid

C12H14N2O3 — CID 66920448

IUPAC7-ethoxy-3-ethyl-2H-indazole-5-carboxylic acid
SMILESCCOc1cc(C(=O)O)cc2c(CC)[nH]nc12
InChIInChI=1S/C12H14N2O3/c1-3-9-8-5-7(12(15)16)6-10(17-4-2)11(8)14-13-9/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyZERZWPBDVDWOIA-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.22
Rot. Bonds4

About 7-ethoxy-3-ethyl-2H-indazole-5-carboxylic acid

7-ethoxy-3-ethyl-2H-indazole-5-carboxylic acid (PubChem CID 66920448) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 7-ethoxy-3-ethyl-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name7-ethoxy-3-ethyl-2H-indazole-5-carboxylic acid
PubChem CID66920448
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name7-ethoxy-3-ethyl-2H-indazole-5-carboxylic acid
SMILESCCOc1cc(C(=O)O)cc2c(CC)[nH]nc12
InChIInChI=1S/C12H14N2O3/c1-3-9-8-5-7(12(15)16)6-10(17-4-2)11(8)14-13-9/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyZERZWPBDVDWOIA-UHFFFAOYSA-N
XLogP2.22
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-3-ethyl-2H-indazole-5-carboxylic acid?
The IUPAC name of 7-ethoxy-3-ethyl-2H-indazole-5-carboxylic acid (CID 66920448) is 7-ethoxy-3-ethyl-2H-indazole-5-carboxylic acid.
What is the SMILES notation for 7-ethoxy-3-ethyl-2H-indazole-5-carboxylic acid?
The canonical SMILES for 7-ethoxy-3-ethyl-2H-indazole-5-carboxylic acid is CCOc1cc(C(=O)O)cc2c(CC)[nH]nc12.
What is the InChIKey of 7-ethoxy-3-ethyl-2H-indazole-5-carboxylic acid?
The InChIKey is ZERZWPBDVDWOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-9-8-5-7(12(15)16)6-10(17-4-2)11(8)14-13-9/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 7-ethoxy-3-ethyl-2H-indazole-5-carboxylic acid?
7-ethoxy-3-ethyl-2H-indazole-5-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3-ethyl-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 66920448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).