5-amino-1,3-dimethylindazole-6-carboxylic acid

C10H11N3O2 — CID 84722038

IUPAC5-amino-1,3-dimethylindazole-6-carboxylic acid
SMILESCc1nn(C)c2cc(C(=O)O)c(N)cc12
InChIInChI=1S/C10H11N3O2/c1-5-6-3-8(11)7(10(14)15)4-9(6)13(2)12-5/h3-4H,11H2,1-2H3,(H,14,15)
InChIKeyGSBOUJXTTXEOMC-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.16
Rot. Bonds1

About 5-amino-1,3-dimethylindazole-6-carboxylic acid

5-amino-1,3-dimethylindazole-6-carboxylic acid (PubChem CID 84722038) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 5-amino-1,3-dimethylindazole-6-carboxylic acid.

Molecular Properties

Compound Name5-amino-1,3-dimethylindazole-6-carboxylic acid
PubChem CID84722038
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name5-amino-1,3-dimethylindazole-6-carboxylic acid
SMILESCc1nn(C)c2cc(C(=O)O)c(N)cc12
InChIInChI=1S/C10H11N3O2/c1-5-6-3-8(11)7(10(14)15)4-9(6)13(2)12-5/h3-4H,11H2,1-2H3,(H,14,15)
InChIKeyGSBOUJXTTXEOMC-UHFFFAOYSA-N
XLogP1.16
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.16
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

5-amino-1,3-dimethylindazole-6-carbonitrile
CID 131443365
ethyl 1,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxylate
CID 12529967
5-amino-3-methyl-2H-indazole-6-carboxylic acid
CID 84719636
4-(1,3-dimethylindazol-6-yl)butanoic acid
CID 117336304
5-amino-1-methylindazole-3-carboxylic acid
CID 84663060
6-amino-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 82402345
6-chloro-1,3-dimethylindazole-5-carbaldehyde
CID 117109823
1,3,5-trimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 125424717
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid
CID 81345916
5-isocyano-1,3-dimethylindazole
CID 58847572
6-amino-1,3-dimethyl-N-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 39096980
1-(1,3-dimethylindazol-6-yl)cyclohexane-1-carboxylic acid
CID 117433820

Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dimethylindazole-6-carboxylic acid?
The IUPAC name of 5-amino-1,3-dimethylindazole-6-carboxylic acid (CID 84722038) is 5-amino-1,3-dimethylindazole-6-carboxylic acid.
What is the SMILES notation for 5-amino-1,3-dimethylindazole-6-carboxylic acid?
The canonical SMILES for 5-amino-1,3-dimethylindazole-6-carboxylic acid is Cc1nn(C)c2cc(C(=O)O)c(N)cc12.
What is the InChIKey of 5-amino-1,3-dimethylindazole-6-carboxylic acid?
The InChIKey is GSBOUJXTTXEOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-5-6-3-8(11)7(10(14)15)4-9(6)13(2)12-5/h3-4H,11H2,1-2H3,(H,14,15).
What are the key properties of 5-amino-1,3-dimethylindazole-6-carboxylic acid?
5-amino-1,3-dimethylindazole-6-carboxylic acid has a molecular weight of 205.22 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-dimethylindazole-6-carboxylic acid is sourced from PubChem (CID 84722038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).