methyl 2-[5-amino-2-(oxan-2-yl)indazol-4-yl]acetate

C15H19N3O3 — CID 23134409

IUPACmethyl 2-[5-amino-2-(oxan-2-yl)indazol-4-yl]acetate
SMILESCOC(=O)Cc1c(N)ccc2nn(C3CCCCO3)cc12
InChIInChI=1S/C15H19N3O3/c1-20-15(19)8-10-11-9-18(14-4-2-3-7-21-14)17-13(11)6-5-12(10)16/h5-6,9,14H,2-4,7-8,16H2,1H3
InChIKeyRQGBKUGCHHPIAQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.03
Rot. Bonds3

About methyl 2-[5-amino-2-(oxan-2-yl)indazol-4-yl]acetate

methyl 2-[5-amino-2-(oxan-2-yl)indazol-4-yl]acetate (PubChem CID 23134409) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 2-[5-amino-2-(oxan-2-yl)indazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-amino-2-(oxan-2-yl)indazol-4-yl]acetate
PubChem CID23134409
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Namemethyl 2-[5-amino-2-(oxan-2-yl)indazol-4-yl]acetate
SMILESCOC(=O)Cc1c(N)ccc2nn(C3CCCCO3)cc12
InChIInChI=1S/C15H19N3O3/c1-20-15(19)8-10-11-9-18(14-4-2-3-7-21-14)17-13(11)6-5-12(10)16/h5-6,9,14H,2-4,7-8,16H2,1H3
InChIKeyRQGBKUGCHHPIAQ-UHFFFAOYSA-N
XLogP2.03
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-amino-2-(oxan-2-yl)indazol-4-yl]acetate?
The IUPAC name of methyl 2-[5-amino-2-(oxan-2-yl)indazol-4-yl]acetate (CID 23134409) is methyl 2-[5-amino-2-(oxan-2-yl)indazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[5-amino-2-(oxan-2-yl)indazol-4-yl]acetate?
The canonical SMILES for methyl 2-[5-amino-2-(oxan-2-yl)indazol-4-yl]acetate is COC(=O)Cc1c(N)ccc2nn(C3CCCCO3)cc12.
What is the InChIKey of methyl 2-[5-amino-2-(oxan-2-yl)indazol-4-yl]acetate?
The InChIKey is RQGBKUGCHHPIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-15(19)8-10-11-9-18(14-4-2-3-7-21-14)17-13(11)6-5-12(10)16/h5-6,9,14H,2-4,7-8,16H2,1H3.
What are the key properties of methyl 2-[5-amino-2-(oxan-2-yl)indazol-4-yl]acetate?
methyl 2-[5-amino-2-(oxan-2-yl)indazol-4-yl]acetate has a molecular weight of 289.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-amino-2-(oxan-2-yl)indazol-4-yl]acetate is sourced from PubChem (CID 23134409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).