tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate

C15H20N2O3 — CID 123586260

IUPACtert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate
SMILESCCc1nn(CC(=O)OC(C)(C)C)c2ccc(O)cc12
InChIInChI=1S/C15H20N2O3/c1-5-12-11-8-10(18)6-7-13(11)17(16-12)9-14(19)20-15(2,3)4/h6-8,18H,5,9H2,1-4H3
InChIKeyGSUDLAYCNSJHMN-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.65
Rot. Bonds3

About tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate

tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate (PubChem CID 123586260) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate
PubChem CID123586260
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nametert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate
SMILESCCc1nn(CC(=O)OC(C)(C)C)c2ccc(O)cc12
InChIInChI=1S/C15H20N2O3/c1-5-12-11-8-10(18)6-7-13(11)17(16-12)9-14(19)20-15(2,3)4/h6-8,18H,5,9H2,1-4H3
InChIKeyGSUDLAYCNSJHMN-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate?
The IUPAC name of tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate (CID 123586260) is tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate is CCc1nn(CC(=O)OC(C)(C)C)c2ccc(O)cc12.
What is the InChIKey of tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate?
The InChIKey is GSUDLAYCNSJHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-5-12-11-8-10(18)6-7-13(11)17(16-12)9-14(19)20-15(2,3)4/h6-8,18H,5,9H2,1-4H3.
What are the key properties of tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate?
tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate has a molecular weight of 276.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate is sourced from PubChem (CID 123586260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).