5-ethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C17H20N2O2 — CID 61295669

IUPAC5-ethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCC1CCc2c(c(C(=O)O)nn2-c2ccccc2C)C1
InChIInChI=1S/C17H20N2O2/c1-3-12-8-9-15-13(10-12)16(17(20)21)18-19(15)14-7-5-4-6-11(14)2/h4-7,12H,3,8-10H2,1-2H3,(H,20,21)
InChIKeyJIEKRVMZWXVRBQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.39
Rot. Bonds3

About 5-ethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid

5-ethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 61295669) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-ethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID61295669
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-ethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCC1CCc2c(c(C(=O)O)nn2-c2ccccc2C)C1
InChIInChI=1S/C17H20N2O2/c1-3-12-8-9-15-13(10-12)16(17(20)21)18-19(15)14-7-5-4-6-11(14)2/h4-7,12H,3,8-10H2,1-2H3,(H,20,21)
InChIKeyJIEKRVMZWXVRBQ-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 5-ethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 61295669) is 5-ethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 5-ethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid is CCC1CCc2c(c(C(=O)O)nn2-c2ccccc2C)C1.
What is the InChIKey of 5-ethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is JIEKRVMZWXVRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-12-8-9-15-13(10-12)16(17(20)21)18-19(15)14-7-5-4-6-11(14)2/h4-7,12H,3,8-10H2,1-2H3,(H,20,21).
What are the key properties of 5-ethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
5-ethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 61295669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).