methyl 2-(3-oxo-2H-indazol-1-yl)acetate

C10H10N2O3 — CID 15084551

IUPACmethyl 2-(3-oxo-2H-indazol-1-yl)acetate
SMILESCOC(=O)Cn1[nH]c(=O)c2ccccc21
InChIInChI=1S/C10H10N2O3/c1-15-9(13)6-12-8-5-3-2-4-7(8)10(14)11-12/h2-5H,6H2,1H3,(H,11,14)
InChIKeyHIZHONYQHQEMSK-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.50
Rot. Bonds2

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

methyl 2-(3-oxo-2H-indazol-1-yl)acetate (PubChem CID 15084551) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 2-(3-oxo-2H-indazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-oxo-2H-indazol-1-yl)acetate
PubChem CID15084551
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Namemethyl 2-(3-oxo-2H-indazol-1-yl)acetate
SMILESCOC(=O)Cn1[nH]c(=O)c2ccccc21
InChIInChI=1S/C10H10N2O3/c1-15-9(13)6-12-8-5-3-2-4-7(8)10(14)11-12/h2-5H,6H2,1H3,(H,11,14)
InChIKeyHIZHONYQHQEMSK-UHFFFAOYSA-N
XLogP0.50
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(3-oxo-2H-indazol-1-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

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-oxo-2H-indazol-1-yl)acetate?
The IUPAC name of methyl 2-(3-oxo-2H-indazol-1-yl)acetate (CID 15084551) is methyl 2-(3-oxo-2H-indazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-oxo-2H-indazol-1-yl)acetate?
The canonical SMILES for methyl 2-(3-oxo-2H-indazol-1-yl)acetate is COC(=O)Cn1[nH]c(=O)c2ccccc21.
What is the InChIKey of methyl 2-(3-oxo-2H-indazol-1-yl)acetate?
The InChIKey is HIZHONYQHQEMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-15-9(13)6-12-8-5-3-2-4-7(8)10(14)11-12/h2-5H,6H2,1H3,(H,11,14).
What are the key properties of methyl 2-(3-oxo-2H-indazol-1-yl)acetate?
methyl 2-(3-oxo-2H-indazol-1-yl)acetate has a molecular weight of 206.20 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-oxo-2H-indazol-1-yl)acetate is sourced from PubChem (CID 15084551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).