methyl 3-(dimethylamino)-1-methylindazole-6-carboxylate

C12H15N3O2 — CID 156503325

IUPACmethyl 3-(dimethylamino)-1-methylindazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(N(C)C)nn(C)c2c1
InChIInChI=1S/C12H15N3O2/c1-14(2)11-9-6-5-8(12(16)17-4)7-10(9)15(3)13-11/h5-7H,1-4H3
InChIKeyHWHOHXCINBPOQE-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.43
Rot. Bonds2

About methyl 3-(dimethylamino)-1-methylindazole-6-carboxylate

methyl 3-(dimethylamino)-1-methylindazole-6-carboxylate (PubChem CID 156503325) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 3-(dimethylamino)-1-methylindazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)-1-methylindazole-6-carboxylate
PubChem CID156503325
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Namemethyl 3-(dimethylamino)-1-methylindazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(N(C)C)nn(C)c2c1
InChIInChI=1S/C12H15N3O2/c1-14(2)11-9-6-5-8(12(16)17-4)7-10(9)15(3)13-11/h5-7H,1-4H3
InChIKeyHWHOHXCINBPOQE-UHFFFAOYSA-N
XLogP1.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate
CID 142606640
methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate
CID 175951142
methyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate
CID 19084962
methyl 3-(2-hydroxyethyl)-1-methylindazole-5-carboxylate
CID 171772859
methyl 3-cyclopentyl-1-methylindazole-5-carboxylate
CID 171772847
methyl 5-methylpyrido[4,3-b]indole-7-carboxylate
CID 116986202
1-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]ethanone
CID 112757846
methyl 4-amino-3-(dimethylamino)benzoate;hydrochloride
CID 75525893
methyl 3-ethyl-1,2-dimethylindole-6-carboxylate
CID 143166836
methyl 4-amino-3-[(1,5-dimethylpyrazol-3-yl)amino]benzoate
CID 114253861
methyl 6-(aminomethyl)-1-methylindazole-3-carboxylate
CID 84786637
ethane;methyl 3-ethyl-1,2-dimethylindole-6-carboxylate
CID 143166835

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylamino)-1-methylindazole-6-carboxylate?
The IUPAC name of methyl 3-(dimethylamino)-1-methylindazole-6-carboxylate (CID 156503325) is methyl 3-(dimethylamino)-1-methylindazole-6-carboxylate.
What is the SMILES notation for methyl 3-(dimethylamino)-1-methylindazole-6-carboxylate?
The canonical SMILES for methyl 3-(dimethylamino)-1-methylindazole-6-carboxylate is COC(=O)c1ccc2c(N(C)C)nn(C)c2c1.
What is the InChIKey of methyl 3-(dimethylamino)-1-methylindazole-6-carboxylate?
The InChIKey is HWHOHXCINBPOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-14(2)11-9-6-5-8(12(16)17-4)7-10(9)15(3)13-11/h5-7H,1-4H3.
What are the key properties of methyl 3-(dimethylamino)-1-methylindazole-6-carboxylate?
methyl 3-(dimethylamino)-1-methylindazole-6-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylamino)-1-methylindazole-6-carboxylate is sourced from PubChem (CID 156503325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).