ethyl 3-(5-methoxyindazol-2-yl)propanoate

C13H16N2O3 — CID 166786930

IUPACethyl 3-(5-methoxyindazol-2-yl)propanoate
SMILESCCOC(=O)CCn1cc2cc(OC)ccc2n1
InChIInChI=1S/C13H16N2O3/c1-3-18-13(16)6-7-15-9-10-8-11(17-2)4-5-12(10)14-15/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyRTMRVPCMDYSPOW-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.00
Rot. Bonds5

About ethyl 3-(5-methoxyindazol-2-yl)propanoate

ethyl 3-(5-methoxyindazol-2-yl)propanoate (PubChem CID 166786930) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is ethyl 3-(5-methoxyindazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-methoxyindazol-2-yl)propanoate
PubChem CID166786930
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Nameethyl 3-(5-methoxyindazol-2-yl)propanoate
SMILESCCOC(=O)CCn1cc2cc(OC)ccc2n1
InChIInChI=1S/C13H16N2O3/c1-3-18-13(16)6-7-15-9-10-8-11(17-2)4-5-12(10)14-15/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyRTMRVPCMDYSPOW-UHFFFAOYSA-N
XLogP2.00
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-methoxyindazol-2-yl)propanoate?
The IUPAC name of ethyl 3-(5-methoxyindazol-2-yl)propanoate (CID 166786930) is ethyl 3-(5-methoxyindazol-2-yl)propanoate.
What is the SMILES notation for ethyl 3-(5-methoxyindazol-2-yl)propanoate?
The canonical SMILES for ethyl 3-(5-methoxyindazol-2-yl)propanoate is CCOC(=O)CCn1cc2cc(OC)ccc2n1.
What is the InChIKey of ethyl 3-(5-methoxyindazol-2-yl)propanoate?
The InChIKey is RTMRVPCMDYSPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-18-13(16)6-7-15-9-10-8-11(17-2)4-5-12(10)14-15/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of ethyl 3-(5-methoxyindazol-2-yl)propanoate?
ethyl 3-(5-methoxyindazol-2-yl)propanoate has a molecular weight of 248.28 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-methoxyindazol-2-yl)propanoate is sourced from PubChem (CID 166786930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).