methyl 3-(2-hydroxyethyl)-1-methylindazole-5-carboxylate

C12H14N2O3 — CID 171772859

IUPACmethyl 3-(2-hydroxyethyl)-1-methylindazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c(CCO)nn2C
InChIInChI=1S/C12H14N2O3/c1-14-11-4-3-8(12(16)17-2)7-9(11)10(13-14)5-6-15/h3-4,7,15H,5-6H2,1-2H3
InChIKeyJAHALGDYPUNNRH-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.89
Rot. Bonds3

About methyl 3-(2-hydroxyethyl)-1-methylindazole-5-carboxylate

methyl 3-(2-hydroxyethyl)-1-methylindazole-5-carboxylate (PubChem CID 171772859) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 3-(2-hydroxyethyl)-1-methylindazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-hydroxyethyl)-1-methylindazole-5-carboxylate
PubChem CID171772859
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl 3-(2-hydroxyethyl)-1-methylindazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c(CCO)nn2C
InChIInChI=1S/C12H14N2O3/c1-14-11-4-3-8(12(16)17-2)7-9(11)10(13-14)5-6-15/h3-4,7,15H,5-6H2,1-2H3
InChIKeyJAHALGDYPUNNRH-UHFFFAOYSA-N
XLogP0.89
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate
CID 19084962
methyl 3-cyclopentyl-1-methylindazole-5-carboxylate
CID 171772847
3-ethyl-1-methylindazole-5-carboxamide
CID 171772893
methyl 3-(dimethylamino)-1-methylindazole-6-carboxylate
CID 156503325
methyl 2-(5-bromo-1-methylindazol-3-yl)acetate
CID 129278070
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
methyl 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride
CID 171367133
methyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate
CID 142606640
methyl 3-(2-hydroxyethyl)-4-methoxybenzoate
CID 10608505
methyl 3-iodo-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazole-5-carboxylate
CID 118322422
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate
CID 118658750

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-hydroxyethyl)-1-methylindazole-5-carboxylate?
The IUPAC name of methyl 3-(2-hydroxyethyl)-1-methylindazole-5-carboxylate (CID 171772859) is methyl 3-(2-hydroxyethyl)-1-methylindazole-5-carboxylate.
What is the SMILES notation for methyl 3-(2-hydroxyethyl)-1-methylindazole-5-carboxylate?
The canonical SMILES for methyl 3-(2-hydroxyethyl)-1-methylindazole-5-carboxylate is COC(=O)c1ccc2c(c1)c(CCO)nn2C.
What is the InChIKey of methyl 3-(2-hydroxyethyl)-1-methylindazole-5-carboxylate?
The InChIKey is JAHALGDYPUNNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-14-11-4-3-8(12(16)17-2)7-9(11)10(13-14)5-6-15/h3-4,7,15H,5-6H2,1-2H3.
What are the key properties of methyl 3-(2-hydroxyethyl)-1-methylindazole-5-carboxylate?
methyl 3-(2-hydroxyethyl)-1-methylindazole-5-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-hydroxyethyl)-1-methylindazole-5-carboxylate is sourced from PubChem (CID 171772859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).