2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carboxylic acid

C11H16N2O2 — CID 83883896

IUPAC2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carboxylic acid
SMILESCC(C)n1cc2c(n1)C(C(=O)O)CCC2
InChIInChI=1S/C11H16N2O2/c1-7(2)13-6-8-4-3-5-9(11(14)15)10(8)12-13/h6-7,9H,3-5H2,1-2H3,(H,14,15)
InChIKeyPUIQNNHTBWAIAK-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.97
Rot. Bonds2

About 2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carboxylic acid

2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carboxylic acid (PubChem CID 83883896) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carboxylic acid
PubChem CID83883896
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carboxylic acid
SMILESCC(C)n1cc2c(n1)C(C(=O)O)CCC2
InChIInChI=1S/C11H16N2O2/c1-7(2)13-6-8-4-3-5-9(11(14)15)10(8)12-13/h6-7,9H,3-5H2,1-2H3,(H,14,15)
InChIKeyPUIQNNHTBWAIAK-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carboxylic acid?
The IUPAC name of 2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carboxylic acid (CID 83883896) is 2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carboxylic acid is CC(C)n1cc2c(n1)C(C(=O)O)CCC2.
What is the InChIKey of 2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carboxylic acid?
The InChIKey is PUIQNNHTBWAIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)13-6-8-4-3-5-9(11(14)15)10(8)12-13/h6-7,9H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carboxylic acid?
2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4,5,6,7-tetrahydroindazole-7-carboxylic acid is sourced from PubChem (CID 83883896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).