ethyl 2-(2-methylindazol-5-yl)acetate

C12H14N2O2 — CID 155343728

IUPACethyl 2-(2-methylindazol-5-yl)acetate
SMILESCCOC(=O)Cc1ccc2nn(C)cc2c1
InChIInChI=1S/C12H14N2O2/c1-3-16-12(15)7-9-4-5-11-10(6-9)8-14(2)13-11/h4-6,8H,3,7H2,1-2H3
InChIKeyNNWDIIYPPCNWTL-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.68
Rot. Bonds3

About ethyl 2-(2-methylindazol-5-yl)acetate

ethyl 2-(2-methylindazol-5-yl)acetate (PubChem CID 155343728) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is ethyl 2-(2-methylindazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methylindazol-5-yl)acetate
PubChem CID155343728
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Nameethyl 2-(2-methylindazol-5-yl)acetate
SMILESCCOC(=O)Cc1ccc2nn(C)cc2c1
InChIInChI=1S/C12H14N2O2/c1-3-16-12(15)7-9-4-5-11-10(6-9)8-14(2)13-11/h4-6,8H,3,7H2,1-2H3
InChIKeyNNWDIIYPPCNWTL-UHFFFAOYSA-N
XLogP1.68
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(2-methylindazol-5-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylindazol-5-yl)propanamide
CID 126651396
ethyl 2-(2,3-difluoroquinolin-6-yl)acetate
CID 122658727
ethyl 2-(2-methoxyquinolin-6-yl)acetate
CID 21498743
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
ethyl 2-isoquinolin-6-ylacetate
CID 53408596
ethyl 2-(1-methyl-6-oxo-3-pyridinyl)acetate
CID 131699985
ethyl 2-(4-trimethylsilylphenyl)acetate
CID 125466611
(2-methylindazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-5-yl]acetate
CID 157263641
2,5-dimethylindazole
CID 58763639
ethyl 2-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]acetate
CID 68910003
ethyl 2-(3-bromo-4-ethylphenyl)acetate
CID 82643388
ethyl 2-(3-iodo-4-methylphenyl)acetate
CID 134638159

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylindazol-5-yl)acetate?
The IUPAC name of ethyl 2-(2-methylindazol-5-yl)acetate (CID 155343728) is ethyl 2-(2-methylindazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2-methylindazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(2-methylindazol-5-yl)acetate is CCOC(=O)Cc1ccc2nn(C)cc2c1.
What is the InChIKey of ethyl 2-(2-methylindazol-5-yl)acetate?
The InChIKey is NNWDIIYPPCNWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-16-12(15)7-9-4-5-11-10(6-9)8-14(2)13-11/h4-6,8H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(2-methylindazol-5-yl)acetate?
ethyl 2-(2-methylindazol-5-yl)acetate has a molecular weight of 218.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylindazol-5-yl)acetate is sourced from PubChem (CID 155343728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).