methyl 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoate

C13H17N3O2 — CID 79624093

IUPACmethyl 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cn1ncc2ccc(N)cc21
InChIInChI=1S/C13H17N3O2/c1-13(2,12(17)18-3)8-16-11-6-10(14)5-4-9(11)7-15-16/h4-7H,8,14H2,1-3H3
InChIKeyASVPVZHQAVAJMO-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.82
Rot. Bonds3

About methyl 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoate

methyl 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoate (PubChem CID 79624093) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is methyl 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoate
PubChem CID79624093
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Namemethyl 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cn1ncc2ccc(N)cc21
InChIInChI=1S/C13H17N3O2/c1-13(2,12(17)18-3)8-16-11-6-10(14)5-4-9(11)7-15-16/h4-7H,8,14H2,1-3H3
InChIKeyASVPVZHQAVAJMO-UHFFFAOYSA-N
XLogP1.82
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2H-indazol-6-amine
CID 590220
2-(2H-indazol-2-yl)acetic acid
CID 12252435
Methyl 2-(1H-indazol-1-YL)acetate
CID 49835852
N-1H-Indazol-4-yl-2,2-dimethylpropanamide
CID 1482887
3-(1H-indazol-1-yl)propanoic acid
CID 805922
1-methyl-1H-indazol-6-amine
CID 840433
ethyl 2-(1H-indazol-1-yl)acetate
CID 62140546
1H-Indazol-1-ylacetic acid
CID 6422830
Methyl indazole-1-carboxylate
CID 12285829
1H-Indazol-4-amine, 1-methyl-
CID 153838
1-(Tetrahydro-2H-pyran-2-yl)-1H-indazol-6-amine
CID 44118233
N-(1-Acetyl-1H-indazol-6-yl)acetamide
CID 308115

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoate (CID 79624093) is methyl 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)Cn1ncc2ccc(N)cc21.
What is the InChIKey of methyl 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoate?
The InChIKey is ASVPVZHQAVAJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,12(17)18-3)8-16-11-6-10(14)5-4-9(11)7-15-16/h4-7H,8,14H2,1-3H3.
What are the key properties of methyl 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoate?
methyl 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoate has a molecular weight of 247.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoate is sourced from PubChem (CID 79624093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).