2-(3-ethyl-2H-indazol-4-yl)acetic acid

C11H12N2O2 — CID 84672219

IUPAC2-(3-ethyl-2H-indazol-4-yl)acetic acid
SMILESCCc1[nH]nc2cccc(CC(=O)O)c12
InChIInChI=1S/C11H12N2O2/c1-2-8-11-7(6-10(14)15)4-3-5-9(11)13-12-8/h3-5H,2,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyZWXCROBWMOVZCV-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.75
Rot. Bonds3

About 2-(3-ethyl-2H-indazol-4-yl)acetic acid

2-(3-ethyl-2H-indazol-4-yl)acetic acid (PubChem CID 84672219) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(3-ethyl-2H-indazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-2H-indazol-4-yl)acetic acid
PubChem CID84672219
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(3-ethyl-2H-indazol-4-yl)acetic acid
SMILESCCc1[nH]nc2cccc(CC(=O)O)c12
InChIInChI=1S/C11H12N2O2/c1-2-8-11-7(6-10(14)15)4-3-5-9(11)13-12-8/h3-5H,2,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyZWXCROBWMOVZCV-UHFFFAOYSA-N
XLogP1.75
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-2H-indazole-4-carbaldehyde
CID 105435762
3-ethyl-4-methoxy-2H-indazole
CID 76846083
2-(2H-pyrazolo[4,3-b]pyridin-3-yl)acetic acid
CID 84655847
ethyl 2-(2H-indazol-3-yl)acetate;2-(2H-indazol-3-yl)acetic acid
CID 158451727
4-benzyl-3-pentyl-2H-indazole
CID 70179952
(1R)-2-(tert-butylamino)-1-(3-ethyl-2H-indazol-4-yl)ethanol
CID 165375988
2-(3-bromo-2-methylindazol-4-yl)acetic acid
CID 84729978
3-[ethyl-[2-(2H-indazol-3-yl)acetyl]amino]propanoic acid
CID 119191644
azane;2-(2-ethylphenyl)acetic acid
CID 70384426
3-ethyl-2H-indazole;molecular hydrogen
CID 156727025
3-(4-fluoro-2H-indazol-3-yl)butanoic acid
CID 83910713
2-(2-ethylphenyl)acetic acid;hydrate;hydrochloride
CID 67720112

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2H-indazol-4-yl)acetic acid?
The IUPAC name of 2-(3-ethyl-2H-indazol-4-yl)acetic acid (CID 84672219) is 2-(3-ethyl-2H-indazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-ethyl-2H-indazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-ethyl-2H-indazol-4-yl)acetic acid is CCc1[nH]nc2cccc(CC(=O)O)c12.
What is the InChIKey of 2-(3-ethyl-2H-indazol-4-yl)acetic acid?
The InChIKey is ZWXCROBWMOVZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-8-11-7(6-10(14)15)4-3-5-9(11)13-12-8/h3-5H,2,6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(3-ethyl-2H-indazol-4-yl)acetic acid?
2-(3-ethyl-2H-indazol-4-yl)acetic acid has a molecular weight of 204.23 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2H-indazol-4-yl)acetic acid is sourced from PubChem (CID 84672219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).