2-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C10H14N2O2 — CID 6498680

IUPAC2-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCn1nc2c(c1C(=O)O)CCCC2
InChIInChI=1S/C10H14N2O2/c1-2-12-9(10(13)14)7-5-3-4-6-8(7)11-12/h2-6H2,1H3,(H,13,14)
InChIKeySKWGJKUOJHNXHI-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.48
Rot. Bonds2

About 2-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

2-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 6498680) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID6498680
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCn1nc2c(c1C(=O)O)CCCC2
InChIInChI=1S/C10H14N2O2/c1-2-12-9(10(13)14)7-5-3-4-6-8(7)11-12/h2-6H2,1H3,(H,13,14)
InChIKeySKWGJKUOJHNXHI-UHFFFAOYSA-N
XLogP1.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 2-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 6498680) is 2-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 2-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is CCn1nc2c(c1C(=O)O)CCCC2.
What is the InChIKey of 2-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is SKWGJKUOJHNXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-12-9(10(13)14)7-5-3-4-6-8(7)11-12/h2-6H2,1H3,(H,13,14).
What are the key properties of 2-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
2-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 6498680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).