2-(1-methyl-3-oxo-4,5,6,7-tetrahydro-2H-indazol-5-yl)acetic acid

C10H14N2O3 — CID 83863903

IUPAC2-(1-methyl-3-oxo-4,5,6,7-tetrahydro-2H-indazol-5-yl)acetic acid
SMILESCn1[nH]c(=O)c2c1CCC(CC(=O)O)C2
InChIInChI=1S/C10H14N2O3/c1-12-8-3-2-6(5-9(13)14)4-7(8)10(15)11-12/h6H,2-5H2,1H3,(H,11,15)(H,13,14)
InChIKeyMAZTXOPUNHXBHI-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.29
Rot. Bonds2

About 2-(1-methyl-3-oxo-4,5,6,7-tetrahydro-2H-indazol-5-yl)acetic acid

2-(1-methyl-3-oxo-4,5,6,7-tetrahydro-2H-indazol-5-yl)acetic acid (PubChem CID 83863903) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(1-methyl-3-oxo-4,5,6,7-tetrahydro-2H-indazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-3-oxo-4,5,6,7-tetrahydro-2H-indazol-5-yl)acetic acid
PubChem CID83863903
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(1-methyl-3-oxo-4,5,6,7-tetrahydro-2H-indazol-5-yl)acetic acid
SMILESCn1[nH]c(=O)c2c1CCC(CC(=O)O)C2
InChIInChI=1S/C10H14N2O3/c1-12-8-3-2-6(5-9(13)14)4-7(8)10(15)11-12/h6H,2-5H2,1H3,(H,11,15)(H,13,14)
InChIKeyMAZTXOPUNHXBHI-UHFFFAOYSA-N
XLogP0.29
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-methyl-3-oxo-4,5,6,7-tetrahydro-2H-indazol-5-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)acetic acid
CID 82399790
2-(2,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)acetic acid
CID 82395345
2-(3-methylidenecyclopentyl)acetic acid
CID 55303837
6-(carboxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 22118655
2-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)acetic acid
CID 84722836
2-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid
CID 84630860
2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
CID 82384252
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
2-[(4R)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 124676639
2-[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]methyl]cyclohexyl]acetic acid
CID 155189625
2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid
CID 55105432
2-[(4R)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 124676635

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-oxo-4,5,6,7-tetrahydro-2H-indazol-5-yl)acetic acid?
The IUPAC name of 2-(1-methyl-3-oxo-4,5,6,7-tetrahydro-2H-indazol-5-yl)acetic acid (CID 83863903) is 2-(1-methyl-3-oxo-4,5,6,7-tetrahydro-2H-indazol-5-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-3-oxo-4,5,6,7-tetrahydro-2H-indazol-5-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-3-oxo-4,5,6,7-tetrahydro-2H-indazol-5-yl)acetic acid is Cn1[nH]c(=O)c2c1CCC(CC(=O)O)C2.
What is the InChIKey of 2-(1-methyl-3-oxo-4,5,6,7-tetrahydro-2H-indazol-5-yl)acetic acid?
The InChIKey is MAZTXOPUNHXBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-12-8-3-2-6(5-9(13)14)4-7(8)10(15)11-12/h6H,2-5H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 2-(1-methyl-3-oxo-4,5,6,7-tetrahydro-2H-indazol-5-yl)acetic acid?
2-(1-methyl-3-oxo-4,5,6,7-tetrahydro-2H-indazol-5-yl)acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-oxo-4,5,6,7-tetrahydro-2H-indazol-5-yl)acetic acid is sourced from PubChem (CID 83863903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).