methyl 1-methyl-3-(2-methylpropyl)indazole-7-carboxylate

C14H18N2O2 — CID 90133193

IUPACmethyl 1-methyl-3-(2-methylpropyl)indazole-7-carboxylate
SMILESCOC(=O)c1cccc2c(CC(C)C)nn(C)c12
InChIInChI=1S/C14H18N2O2/c1-9(2)8-12-10-6-5-7-11(14(17)18-4)13(10)16(3)15-12/h5-7,9H,8H2,1-4H3
InChIKeyJNDWZIOXLKLJOJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.56
Rot. Bonds3

About methyl 1-methyl-3-(2-methylpropyl)indazole-7-carboxylate

methyl 1-methyl-3-(2-methylpropyl)indazole-7-carboxylate (PubChem CID 90133193) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 1-methyl-3-(2-methylpropyl)indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-(2-methylpropyl)indazole-7-carboxylate
PubChem CID90133193
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Namemethyl 1-methyl-3-(2-methylpropyl)indazole-7-carboxylate
SMILESCOC(=O)c1cccc2c(CC(C)C)nn(C)c12
InChIInChI=1S/C14H18N2O2/c1-9(2)8-12-10-6-5-7-11(14(17)18-4)13(10)16(3)15-12/h5-7,9H,8H2,1-4H3
InChIKeyJNDWZIOXLKLJOJ-UHFFFAOYSA-N
XLogP2.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-methyl-3-(2-methylpropyl)indazole-7-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-methyl-3-(2-methylpropyl)indazole-7-carboxylate?
The IUPAC name of methyl 1-methyl-3-(2-methylpropyl)indazole-7-carboxylate (CID 90133193) is methyl 1-methyl-3-(2-methylpropyl)indazole-7-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-(2-methylpropyl)indazole-7-carboxylate?
The canonical SMILES for methyl 1-methyl-3-(2-methylpropyl)indazole-7-carboxylate is COC(=O)c1cccc2c(CC(C)C)nn(C)c12.
What is the InChIKey of methyl 1-methyl-3-(2-methylpropyl)indazole-7-carboxylate?
The InChIKey is JNDWZIOXLKLJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)8-12-10-6-5-7-11(14(17)18-4)13(10)16(3)15-12/h5-7,9H,8H2,1-4H3.
What are the key properties of methyl 1-methyl-3-(2-methylpropyl)indazole-7-carboxylate?
methyl 1-methyl-3-(2-methylpropyl)indazole-7-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3-(2-methylpropyl)indazole-7-carboxylate is sourced from PubChem (CID 90133193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).