methyl 1-(2-methylpropyl)indazole-3-carboxylate

C13H16N2O2 — CID 10489745

IUPACmethyl 1-(2-methylpropyl)indazole-3-carboxylate
SMILESCOC(=O)c1nn(CC(C)C)c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-9(2)8-15-11-7-5-4-6-10(11)12(14-15)13(16)17-3/h4-7,9H,8H2,1-3H3
InChIKeyGKUIXLGJSUWCRB-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.48
Rot. Bonds3

About methyl 1-(2-methylpropyl)indazole-3-carboxylate

methyl 1-(2-methylpropyl)indazole-3-carboxylate (PubChem CID 10489745) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 1-(2-methylpropyl)indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylpropyl)indazole-3-carboxylate
PubChem CID10489745
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namemethyl 1-(2-methylpropyl)indazole-3-carboxylate
SMILESCOC(=O)c1nn(CC(C)C)c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-9(2)8-15-11-7-5-4-6-10(11)12(14-15)13(16)17-3/h4-7,9H,8H2,1-3H3
InChIKeyGKUIXLGJSUWCRB-UHFFFAOYSA-N
XLogP2.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-(2-methylpropyl)indazole-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

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methylpropyl)indazole-3-carboxylate?
The IUPAC name of methyl 1-(2-methylpropyl)indazole-3-carboxylate (CID 10489745) is methyl 1-(2-methylpropyl)indazole-3-carboxylate.
What is the SMILES notation for methyl 1-(2-methylpropyl)indazole-3-carboxylate?
The canonical SMILES for methyl 1-(2-methylpropyl)indazole-3-carboxylate is COC(=O)c1nn(CC(C)C)c2ccccc12.
What is the InChIKey of methyl 1-(2-methylpropyl)indazole-3-carboxylate?
The InChIKey is GKUIXLGJSUWCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(2)8-15-11-7-5-4-6-10(11)12(14-15)13(16)17-3/h4-7,9H,8H2,1-3H3.
What are the key properties of methyl 1-(2-methylpropyl)indazole-3-carboxylate?
methyl 1-(2-methylpropyl)indazole-3-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methylpropyl)indazole-3-carboxylate is sourced from PubChem (CID 10489745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).