2-propan-2-yl-1,3-dihydroindazole-7-carboxylic acid

C11H14N2O2 — CID 118166467

IUPAC2-propan-2-yl-1,3-dihydroindazole-7-carboxylic acid
SMILESCC(C)N1Cc2cccc(C(=O)O)c2N1
InChIInChI=1S/C11H14N2O2/c1-7(2)13-6-8-4-3-5-9(11(14)15)10(8)12-13/h3-5,7,12H,6H2,1-2H3,(H,14,15)
InChIKeyZREKLPGNWGTWLY-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.94
Rot. Bonds2

About 2-propan-2-yl-1,3-dihydroindazole-7-carboxylic acid

2-propan-2-yl-1,3-dihydroindazole-7-carboxylic acid (PubChem CID 118166467) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-propan-2-yl-1,3-dihydroindazole-7-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-1,3-dihydroindazole-7-carboxylic acid
PubChem CID118166467
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-propan-2-yl-1,3-dihydroindazole-7-carboxylic acid
SMILESCC(C)N1Cc2cccc(C(=O)O)c2N1
InChIInChI=1S/C11H14N2O2/c1-7(2)13-6-8-4-3-5-9(11(14)15)10(8)12-13/h3-5,7,12H,6H2,1-2H3,(H,14,15)
InChIKeyZREKLPGNWGTWLY-UHFFFAOYSA-N
XLogP1.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3-dihydroindazole-7-carboxylic acid?
The IUPAC name of 2-propan-2-yl-1,3-dihydroindazole-7-carboxylic acid (CID 118166467) is 2-propan-2-yl-1,3-dihydroindazole-7-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-1,3-dihydroindazole-7-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-1,3-dihydroindazole-7-carboxylic acid is CC(C)N1Cc2cccc(C(=O)O)c2N1.
What is the InChIKey of 2-propan-2-yl-1,3-dihydroindazole-7-carboxylic acid?
The InChIKey is ZREKLPGNWGTWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7(2)13-6-8-4-3-5-9(11(14)15)10(8)12-13/h3-5,7,12H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-propan-2-yl-1,3-dihydroindazole-7-carboxylic acid?
2-propan-2-yl-1,3-dihydroindazole-7-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3-dihydroindazole-7-carboxylic acid is sourced from PubChem (CID 118166467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).