4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid

C8H10N2O3 — CID 83906645

IUPAC4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESO=C(O)C1(O)CCCc2[nH]ncc21
InChIInChI=1S/C8H10N2O3/c11-7(12)8(13)3-1-2-6-5(8)4-9-10-6/h4,13H,1-3H2,(H,9,10)(H,11,12)
InChIKeyAQYKMYGVJSLXDY-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.02
Rot. Bonds1

About 4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid

4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid (PubChem CID 83906645) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
PubChem CID83906645
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESO=C(O)C1(O)CCCc2[nH]ncc21
InChIInChI=1S/C8H10N2O3/c11-7(12)8(13)3-1-2-6-5(8)4-9-10-6/h4,13H,1-3H2,(H,9,10)(H,11,12)
InChIKeyAQYKMYGVJSLXDY-UHFFFAOYSA-N
XLogP0.02
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid (CID 83906645) is 4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid is O=C(O)C1(O)CCCc2[nH]ncc21.
What is the InChIKey of 4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The InChIKey is AQYKMYGVJSLXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-7(12)8(13)3-1-2-6-5(8)4-9-10-6/h4,13H,1-3H2,(H,9,10)(H,11,12).
What are the key properties of 4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid is sourced from PubChem (CID 83906645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).