ethyl 5-aminoindazole-1-carboxylate

C10H11N3O2 — CID 119086804

IUPACethyl 5-aminoindazole-1-carboxylate
SMILESCCOC(=O)n1ncc2cc(N)ccc21
InChIInChI=1S/C10H11N3O2/c1-2-15-10(14)13-9-4-3-8(11)5-7(9)6-12-13/h3-6H,2,11H2,1H3
InChIKeyWFLKTPVOWWEKKC-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.62
Rot. Bonds1

About ethyl 5-aminoindazole-1-carboxylate

ethyl 5-aminoindazole-1-carboxylate (PubChem CID 119086804) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is ethyl 5-aminoindazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-aminoindazole-1-carboxylate
PubChem CID119086804
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Nameethyl 5-aminoindazole-1-carboxylate
SMILESCCOC(=O)n1ncc2cc(N)ccc21
InChIInChI=1S/C10H11N3O2/c1-2-15-10(14)13-9-4-3-8(11)5-7(9)6-12-13/h3-6H,2,11H2,1H3
InChIKeyWFLKTPVOWWEKKC-UHFFFAOYSA-N
XLogP1.62
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-aminoindazole-1-carboxylate?
The IUPAC name of ethyl 5-aminoindazole-1-carboxylate (CID 119086804) is ethyl 5-aminoindazole-1-carboxylate.
What is the SMILES notation for ethyl 5-aminoindazole-1-carboxylate?
The canonical SMILES for ethyl 5-aminoindazole-1-carboxylate is CCOC(=O)n1ncc2cc(N)ccc21.
What is the InChIKey of ethyl 5-aminoindazole-1-carboxylate?
The InChIKey is WFLKTPVOWWEKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-15-10(14)13-9-4-3-8(11)5-7(9)6-12-13/h3-6H,2,11H2,1H3.
What are the key properties of ethyl 5-aminoindazole-1-carboxylate?
ethyl 5-aminoindazole-1-carboxylate has a molecular weight of 205.22 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-aminoindazole-1-carboxylate is sourced from PubChem (CID 119086804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).