ethyl 2-(2-hydroxy-1-methyl-3H-indazol-3-yl)acetate

C12H16N2O3 — CID 175038908

IUPACethyl 2-(2-hydroxy-1-methyl-3H-indazol-3-yl)acetate
SMILESCCOC(=O)CC1c2ccccc2N(C)N1O
InChIInChI=1S/C12H16N2O3/c1-3-17-12(15)8-11-9-6-4-5-7-10(9)13(2)14(11)16/h4-7,11,16H,3,8H2,1-2H3
InChIKeyAJRILNIKHDFHEE-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.74
Rot. Bonds3

About ethyl 2-(2-hydroxy-1-methyl-3H-indazol-3-yl)acetate

ethyl 2-(2-hydroxy-1-methyl-3H-indazol-3-yl)acetate (PubChem CID 175038908) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 2-(2-hydroxy-1-methyl-3H-indazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxy-1-methyl-3H-indazol-3-yl)acetate
PubChem CID175038908
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethyl 2-(2-hydroxy-1-methyl-3H-indazol-3-yl)acetate
SMILESCCOC(=O)CC1c2ccccc2N(C)N1O
InChIInChI=1S/C12H16N2O3/c1-3-17-12(15)8-11-9-6-4-5-7-10(9)13(2)14(11)16/h4-7,11,16H,3,8H2,1-2H3
InChIKeyAJRILNIKHDFHEE-UHFFFAOYSA-N
XLogP1.74
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxy-1-methyl-3H-indazol-3-yl)acetate?
The IUPAC name of ethyl 2-(2-hydroxy-1-methyl-3H-indazol-3-yl)acetate (CID 175038908) is ethyl 2-(2-hydroxy-1-methyl-3H-indazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2-hydroxy-1-methyl-3H-indazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(2-hydroxy-1-methyl-3H-indazol-3-yl)acetate is CCOC(=O)CC1c2ccccc2N(C)N1O.
What is the InChIKey of ethyl 2-(2-hydroxy-1-methyl-3H-indazol-3-yl)acetate?
The InChIKey is AJRILNIKHDFHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-17-12(15)8-11-9-6-4-5-7-10(9)13(2)14(11)16/h4-7,11,16H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(2-hydroxy-1-methyl-3H-indazol-3-yl)acetate?
ethyl 2-(2-hydroxy-1-methyl-3H-indazol-3-yl)acetate has a molecular weight of 236.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxy-1-methyl-3H-indazol-3-yl)acetate is sourced from PubChem (CID 175038908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).