3-(aminomethyl)-2H-indazole-5-carboxylic acid

C9H9N3O2 — CID 83483911

IUPAC3-(aminomethyl)-2H-indazole-5-carboxylic acid
SMILESNCc1[nH]nc2ccc(C(=O)O)cc12
InChIInChI=1S/C9H9N3O2/c10-4-8-6-3-5(9(13)14)1-2-7(6)11-12-8/h1-3H,4,10H2,(H,11,12)(H,13,14)
InChIKeyLPYTWEKATXBHGQ-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.72
Rot. Bonds2

About 3-(aminomethyl)-2H-indazole-5-carboxylic acid

3-(aminomethyl)-2H-indazole-5-carboxylic acid (PubChem CID 83483911) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-(aminomethyl)-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)-2H-indazole-5-carboxylic acid
PubChem CID83483911
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name3-(aminomethyl)-2H-indazole-5-carboxylic acid
SMILESNCc1[nH]nc2ccc(C(=O)O)cc12
InChIInChI=1S/C9H9N3O2/c10-4-8-6-3-5(9(13)14)1-2-7(6)11-12-8/h1-3H,4,10H2,(H,11,12)(H,13,14)
InChIKeyLPYTWEKATXBHGQ-UHFFFAOYSA-N
XLogP0.72
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2H-indazole-5-carboxylic acid?
The IUPAC name of 3-(aminomethyl)-2H-indazole-5-carboxylic acid (CID 83483911) is 3-(aminomethyl)-2H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)-2H-indazole-5-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)-2H-indazole-5-carboxylic acid is NCc1[nH]nc2ccc(C(=O)O)cc12.
What is the InChIKey of 3-(aminomethyl)-2H-indazole-5-carboxylic acid?
The InChIKey is LPYTWEKATXBHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c10-4-8-6-3-5(9(13)14)1-2-7(6)11-12-8/h1-3H,4,10H2,(H,11,12)(H,13,14).
What are the key properties of 3-(aminomethyl)-2H-indazole-5-carboxylic acid?
3-(aminomethyl)-2H-indazole-5-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 83483911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).