propan-2-yl 2-(6-methyl-2H-indazol-3-yl)acetate

C13H16N2O2 — CID 170985533

IUPACpropan-2-yl 2-(6-methyl-2H-indazol-3-yl)acetate
SMILESCc1ccc2c(CC(=O)OC(C)C)[nH]nc2c1
InChIInChI=1S/C13H16N2O2/c1-8(2)17-13(16)7-12-10-5-4-9(3)6-11(10)14-15-12/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyJSZSMTNQVRHVTF-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.37
Rot. Bonds3

About propan-2-yl 2-(6-methyl-2H-indazol-3-yl)acetate

propan-2-yl 2-(6-methyl-2H-indazol-3-yl)acetate (PubChem CID 170985533) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is propan-2-yl 2-(6-methyl-2H-indazol-3-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(6-methyl-2H-indazol-3-yl)acetate
PubChem CID170985533
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namepropan-2-yl 2-(6-methyl-2H-indazol-3-yl)acetate
SMILESCc1ccc2c(CC(=O)OC(C)C)[nH]nc2c1
InChIInChI=1S/C13H16N2O2/c1-8(2)17-13(16)7-12-10-5-4-9(3)6-11(10)14-15-12/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyJSZSMTNQVRHVTF-UHFFFAOYSA-N
XLogP2.37
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 2-(6-methyl-2H-indazol-3-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

propan-2-yl 2-(4,6-dimethylquinolin-3-yl)acetate
CID 160727618
propan-2-yl 3-(4-methylphenyl)-3-oxopropanoate
CID 22925329
3-(4,4-dimethylpentyl)-6-methyl-2H-indazole
CID 163560840
ethyl 2-(5-bromo-2H-indazol-3-yl)acetate
CID 54553122
ethyl 2-(2H-indazol-3-yl)acetate;2-(2H-indazol-3-yl)acetic acid
CID 158451727
2-(6-methyl-2H-indazol-3-yl)propan-1-amine
CID 83907197
6-methyl-3-nitro-2H-indazole
CID 135883511
propan-2-yl 2-(5-methyl-3H-isoindol-1-yl)acetate
CID 158079231
2-(6-amino-2H-indazol-3-yl)acetate
CID 131676345
propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate
CID 54942552
propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 54941393
2-(5-methoxy-2H-indazol-3-yl)acetamide
CID 76846209

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(6-methyl-2H-indazol-3-yl)acetate?
The IUPAC name of propan-2-yl 2-(6-methyl-2H-indazol-3-yl)acetate (CID 170985533) is propan-2-yl 2-(6-methyl-2H-indazol-3-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(6-methyl-2H-indazol-3-yl)acetate?
The canonical SMILES for propan-2-yl 2-(6-methyl-2H-indazol-3-yl)acetate is Cc1ccc2c(CC(=O)OC(C)C)[nH]nc2c1.
What is the InChIKey of propan-2-yl 2-(6-methyl-2H-indazol-3-yl)acetate?
The InChIKey is JSZSMTNQVRHVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(2)17-13(16)7-12-10-5-4-9(3)6-11(10)14-15-12/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of propan-2-yl 2-(6-methyl-2H-indazol-3-yl)acetate?
propan-2-yl 2-(6-methyl-2H-indazol-3-yl)acetate has a molecular weight of 232.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(6-methyl-2H-indazol-3-yl)acetate is sourced from PubChem (CID 170985533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).