ethyl 1-[(3-methyloxiran-2-yl)methyl]indazole-3-carboxylate

C14H16N2O3 — CID 141412078

IUPACethyl 1-[(3-methyloxiran-2-yl)methyl]indazole-3-carboxylate
SMILESCCOC(=O)c1nn(CC2OC2C)c2ccccc12
InChIInChI=1S/C14H16N2O3/c1-3-18-14(17)13-10-6-4-5-7-11(10)16(15-13)8-12-9(2)19-12/h4-7,9,12H,3,8H2,1-2H3
InChIKeyXOECWMUOGOOGGO-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.00
Rot. Bonds4

About ethyl 1-[(3-methyloxiran-2-yl)methyl]indazole-3-carboxylate

ethyl 1-[(3-methyloxiran-2-yl)methyl]indazole-3-carboxylate (PubChem CID 141412078) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 1-[(3-methyloxiran-2-yl)methyl]indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-methyloxiran-2-yl)methyl]indazole-3-carboxylate
PubChem CID141412078
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 1-[(3-methyloxiran-2-yl)methyl]indazole-3-carboxylate
SMILESCCOC(=O)c1nn(CC2OC2C)c2ccccc12
InChIInChI=1S/C14H16N2O3/c1-3-18-14(17)13-10-6-4-5-7-11(10)16(15-13)8-12-9(2)19-12/h4-7,9,12H,3,8H2,1-2H3
InChIKeyXOECWMUOGOOGGO-UHFFFAOYSA-N
XLogP2.00
TPSA56.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(3-methoxypropyl)indazole-3-carboxylate
CID 90286417
ethyl 2-[1-[(1-methylazetidin-3-yl)methyl]indazol-3-yl]acetate
CID 57481633
methyl 1-(2-methylpropyl)indazole-3-carboxylate
CID 10489745
1-(oxan-4-ylmethyl)indazole-3-carboxylic acid
CID 55178208
diethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 53487001
1-ethylindazole-3-carbonyl chloride;1-ethylindazole-3-carboxamide;1-ethyl-3-methylindazole
CID 160794460
ethyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 12695680
ethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate
CID 70969672
ethyl triazolo[1,5-a]pyridine-3-carboxylate
CID 13111408
methyl 1-(3-methoxypropyl)indazole-3-carboxylate
CID 68501253
ethyl 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]-[1-(oxan-4-ylmethyl)indazole-3-carbonyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylate
CID 91390067
(4-ethylnaphthalen-1-yl)-[1-(oxan-4-ylmethyl)indazol-3-yl]methanone
CID 170857790

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-methyloxiran-2-yl)methyl]indazole-3-carboxylate?
The IUPAC name of ethyl 1-[(3-methyloxiran-2-yl)methyl]indazole-3-carboxylate (CID 141412078) is ethyl 1-[(3-methyloxiran-2-yl)methyl]indazole-3-carboxylate.
What is the SMILES notation for ethyl 1-[(3-methyloxiran-2-yl)methyl]indazole-3-carboxylate?
The canonical SMILES for ethyl 1-[(3-methyloxiran-2-yl)methyl]indazole-3-carboxylate is CCOC(=O)c1nn(CC2OC2C)c2ccccc12.
What is the InChIKey of ethyl 1-[(3-methyloxiran-2-yl)methyl]indazole-3-carboxylate?
The InChIKey is XOECWMUOGOOGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-18-14(17)13-10-6-4-5-7-11(10)16(15-13)8-12-9(2)19-12/h4-7,9,12H,3,8H2,1-2H3.
What are the key properties of ethyl 1-[(3-methyloxiran-2-yl)methyl]indazole-3-carboxylate?
ethyl 1-[(3-methyloxiran-2-yl)methyl]indazole-3-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-methyloxiran-2-yl)methyl]indazole-3-carboxylate is sourced from PubChem (CID 141412078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).