ethyl 3-methylindazole-3-carboxylate

C11H12N2O2 — CID 121222577

IUPACethyl 3-methylindazole-3-carboxylate
SMILESCCOC(=O)C1(C)N=Nc2ccccc21
InChIInChI=1S/C11H12N2O2/c1-3-15-10(14)11(2)8-6-4-5-7-9(8)12-13-11/h4-7H,3H2,1-2H3
InChIKeyDIQVORIBHZLLLA-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.56
Rot. Bonds2

About ethyl 3-methylindazole-3-carboxylate

ethyl 3-methylindazole-3-carboxylate (PubChem CID 121222577) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl 3-methylindazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-methylindazole-3-carboxylate
PubChem CID121222577
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Nameethyl 3-methylindazole-3-carboxylate
SMILESCCOC(=O)C1(C)N=Nc2ccccc21
InChIInChI=1S/C11H12N2O2/c1-3-15-10(14)11(2)8-6-4-5-7-9(8)12-13-11/h4-7H,3H2,1-2H3
InChIKeyDIQVORIBHZLLLA-UHFFFAOYSA-N
XLogP2.56
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-methylindazole-3-carboxylate 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

ethyl 3-methyl-2-phenylindole-3-carboxylate
CID 46854944
ethyl 9-hydroxyfluorene-9-carboxylate
CID 139070715
ethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate
CID 22486115
ethyl 2,4-dimethyl-5-oxo-1,3-oxazole-4-carboxylate
CID 154091027
ethyl (4S)-4-hydroxy-3-methyl-2-oxo-1H-quinazoline-4-carboxylate
CID 744798
ethyl 15-methyl-8-propan-2-yl-15-azatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene-1-carboxylate
CID 134838431
ethyl 7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene-9-carboxylate
CID 89207064
ethyl (4S)-4-benzyl-2,3-dioxo-1H-quinoline-4-carboxylate
CID 102347352
diethyl 2-(2-oxo-2-phenylmethoxyethyl)indene-1,1-dicarboxylate
CID 132933625
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 15029975
ethyl 2,3-dimethylindole-3-carboxylate;2,4,6-trinitrophenol
CID 2752817

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methylindazole-3-carboxylate?
The IUPAC name of ethyl 3-methylindazole-3-carboxylate (CID 121222577) is ethyl 3-methylindazole-3-carboxylate.
What is the SMILES notation for ethyl 3-methylindazole-3-carboxylate?
The canonical SMILES for ethyl 3-methylindazole-3-carboxylate is CCOC(=O)C1(C)N=Nc2ccccc21.
What is the InChIKey of ethyl 3-methylindazole-3-carboxylate?
The InChIKey is DIQVORIBHZLLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-15-10(14)11(2)8-6-4-5-7-9(8)12-13-11/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 3-methylindazole-3-carboxylate?
ethyl 3-methylindazole-3-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methylindazole-3-carboxylate is sourced from PubChem (CID 121222577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).