2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid

C11H16N2O2 — CID 67587857

IUPAC2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
SMILESCCn1ncc2c1CCCC2CC(=O)O
InChIInChI=1S/C11H16N2O2/c1-2-13-10-5-3-4-8(6-11(14)15)9(10)7-12-13/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyULXLXIAMFCXLIC-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.80
Rot. Bonds3

About 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid

2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid (PubChem CID 67587857) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
PubChem CID67587857
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
SMILESCCn1ncc2c1CCCC2CC(=O)O
InChIInChI=1S/C11H16N2O2/c1-2-13-10-5-3-4-8(6-11(14)15)9(10)7-12-13/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyULXLXIAMFCXLIC-UHFFFAOYSA-N
XLogP1.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid?
The IUPAC name of 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid (CID 67587857) is 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid?
The canonical SMILES for 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid is CCn1ncc2c1CCCC2CC(=O)O.
What is the InChIKey of 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid?
The InChIKey is ULXLXIAMFCXLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-13-10-5-3-4-8(6-11(14)15)9(10)7-12-13/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid?
2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid has a molecular weight of 208.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid is sourced from PubChem (CID 67587857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).