ethyl 6-(3-aminophenyl)-1H-indazole-3-carboxylate

C16H15N3O2 — CID 46235778

IUPACethyl 6-(3-aminophenyl)-1H-indazole-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2cc(-c3cccc(N)c3)ccc12
InChIInChI=1S/C16H15N3O2/c1-2-21-16(20)15-13-7-6-11(9-14(13)18-19-15)10-4-3-5-12(17)8-10/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyRMULHZIERLZKBH-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.99
Rot. Bonds3

About ethyl 6-(3-aminophenyl)-1H-indazole-3-carboxylate

ethyl 6-(3-aminophenyl)-1H-indazole-3-carboxylate (PubChem CID 46235778) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is ethyl 6-(3-aminophenyl)-1H-indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3-aminophenyl)-1H-indazole-3-carboxylate
PubChem CID46235778
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Nameethyl 6-(3-aminophenyl)-1H-indazole-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2cc(-c3cccc(N)c3)ccc12
InChIInChI=1S/C16H15N3O2/c1-2-21-16(20)15-13-7-6-11(9-14(13)18-19-15)10-4-3-5-12(17)8-10/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyRMULHZIERLZKBH-UHFFFAOYSA-N
XLogP2.99
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1H-indazole-3-carboxylate
CID 46235932
1-[6-(4-aminophenyl)-1H-indazol-3-yl]ethanone
CID 91125991
6-phenyl-1H-indazole-3-carboxylic acid
CID 74892779
6-(3-ethoxyphenyl)-1H-indazol-3-amine
CID 11622972
ethyl 6-[2-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-indazole-3-carboxylate
CID 67679689
[2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534560
ethyl 6-[3-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1H-indazole-3-carboxylate
CID 46234241
methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate
CID 46235776
ethyl 2-(1H-indazol-3-yl)-2-oxoacetate
CID 70319285
[2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288074
ethyl 3-(3,4-diaminophenyl)benzoate
CID 154094188
3-methylbutyl 1H-indazole-3-carboxylate
CID 46638341

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-aminophenyl)-1H-indazole-3-carboxylate?
The IUPAC name of ethyl 6-(3-aminophenyl)-1H-indazole-3-carboxylate (CID 46235778) is ethyl 6-(3-aminophenyl)-1H-indazole-3-carboxylate.
What is the SMILES notation for ethyl 6-(3-aminophenyl)-1H-indazole-3-carboxylate?
The canonical SMILES for ethyl 6-(3-aminophenyl)-1H-indazole-3-carboxylate is CCOC(=O)c1n[nH]c2cc(-c3cccc(N)c3)ccc12.
What is the InChIKey of ethyl 6-(3-aminophenyl)-1H-indazole-3-carboxylate?
The InChIKey is RMULHZIERLZKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-21-16(20)15-13-7-6-11(9-14(13)18-19-15)10-4-3-5-12(17)8-10/h3-9H,2,17H2,1H3,(H,18,19).
What are the key properties of ethyl 6-(3-aminophenyl)-1H-indazole-3-carboxylate?
ethyl 6-(3-aminophenyl)-1H-indazole-3-carboxylate has a molecular weight of 281.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-aminophenyl)-1H-indazole-3-carboxylate is sourced from PubChem (CID 46235778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).