1-phenyl-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C17H20N2O2 — CID 61296804

IUPAC1-phenyl-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCCC1CCc2c(c(C(=O)O)nn2-c2ccccc2)C1
InChIInChI=1S/C17H20N2O2/c1-2-6-12-9-10-15-14(11-12)16(17(20)21)18-19(15)13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11H2,1H3,(H,20,21)
InChIKeyODXWXIIFOICCPQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.48
Rot. Bonds4

About 1-phenyl-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

1-phenyl-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 61296804) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-phenyl-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name1-phenyl-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID61296804
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-phenyl-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCCC1CCc2c(c(C(=O)O)nn2-c2ccccc2)C1
InChIInChI=1S/C17H20N2O2/c1-2-6-12-9-10-15-14(11-12)16(17(20)21)18-19(15)13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11H2,1H3,(H,20,21)
InChIKeyODXWXIIFOICCPQ-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 1-phenyl-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 61296804) is 1-phenyl-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 1-phenyl-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 1-phenyl-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is CCCC1CCc2c(c(C(=O)O)nn2-c2ccccc2)C1.
What is the InChIKey of 1-phenyl-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is ODXWXIIFOICCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-6-12-9-10-15-14(11-12)16(17(20)21)18-19(15)13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11H2,1H3,(H,20,21).
What are the key properties of 1-phenyl-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
1-phenyl-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 61296804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).