methyl 2-(5-amino-2,3-dihydroindazol-1-yl)acetate

C10H13N3O2 — CID 66758827

IUPACmethyl 2-(5-amino-2,3-dihydroindazol-1-yl)acetate
SMILESCOC(=O)CN1NCc2cc(N)ccc21
InChIInChI=1S/C10H13N3O2/c1-15-10(14)6-13-9-3-2-8(11)4-7(9)5-12-13/h2-4,12H,5-6,11H2,1H3
InChIKeyHPJGAIKPVNGWED-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.27
Rot. Bonds2

About methyl 2-(5-amino-2,3-dihydroindazol-1-yl)acetate

methyl 2-(5-amino-2,3-dihydroindazol-1-yl)acetate (PubChem CID 66758827) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 2-(5-amino-2,3-dihydroindazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-amino-2,3-dihydroindazol-1-yl)acetate
PubChem CID66758827
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Namemethyl 2-(5-amino-2,3-dihydroindazol-1-yl)acetate
SMILESCOC(=O)CN1NCc2cc(N)ccc21
InChIInChI=1S/C10H13N3O2/c1-15-10(14)6-13-9-3-2-8(11)4-7(9)5-12-13/h2-4,12H,5-6,11H2,1H3
InChIKeyHPJGAIKPVNGWED-UHFFFAOYSA-N
XLogP0.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.27
H-Bond Donors ≤ 52
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 methyl 2-(5-amino-2,3-dihydroindazol-1-yl)acetate?
The IUPAC name of methyl 2-(5-amino-2,3-dihydroindazol-1-yl)acetate (CID 66758827) is methyl 2-(5-amino-2,3-dihydroindazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-amino-2,3-dihydroindazol-1-yl)acetate?
The canonical SMILES for methyl 2-(5-amino-2,3-dihydroindazol-1-yl)acetate is COC(=O)CN1NCc2cc(N)ccc21.
What is the InChIKey of methyl 2-(5-amino-2,3-dihydroindazol-1-yl)acetate?
The InChIKey is HPJGAIKPVNGWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-15-10(14)6-13-9-3-2-8(11)4-7(9)5-12-13/h2-4,12H,5-6,11H2,1H3.
What are the key properties of methyl 2-(5-amino-2,3-dihydroindazol-1-yl)acetate?
methyl 2-(5-amino-2,3-dihydroindazol-1-yl)acetate has a molecular weight of 207.23 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-amino-2,3-dihydroindazol-1-yl)acetate is sourced from PubChem (CID 66758827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).