2-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-6-yl)acetic acid

C11H16N2O2 — CID 82395373

IUPAC2-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-6-yl)acetic acid
SMILESCc1nn(C)c2c1CCC(CC(=O)O)C2
InChIInChI=1S/C11H16N2O2/c1-7-9-4-3-8(6-11(14)15)5-10(9)13(2)12-7/h8H,3-6H2,1-2H3,(H,14,15)
InChIKeyDTWVRGNTLDJTNS-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.31
Rot. Bonds2

About 2-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-6-yl)acetic acid

2-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-6-yl)acetic acid (PubChem CID 82395373) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-6-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-6-yl)acetic acid
PubChem CID82395373
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-6-yl)acetic acid
SMILESCc1nn(C)c2c1CCC(CC(=O)O)C2
InChIInChI=1S/C11H16N2O2/c1-7-9-4-3-8(6-11(14)15)5-10(9)13(2)12-7/h8H,3-6H2,1-2H3,(H,14,15)
InChIKeyDTWVRGNTLDJTNS-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-6-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

3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 3157816
3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 1084875
2H-Indazole-3-acetic acid, 4,5,6,7-tetrahydro-2-methyl-
CID 210809
1-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 83414588
2-methyl-3-(trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 23005992
3-[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrazol-1-yl]propanoic acid
CID 25323871
3-(1-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl)propanoic acid
CID 82395372
3-[1-(ethoxymethyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-methylpropanoic acid
CID 121553718
5-[3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]pentanoic acid
CID 66874623
3-(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)propanoic acid
CID 50987850
4,4,4-trifluoro-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)butanoic acid
CID 63154984
2-Fluoro-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid
CID 81358709

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-6-yl)acetic acid?
The IUPAC name of 2-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-6-yl)acetic acid (CID 82395373) is 2-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-6-yl)acetic acid.
What is the SMILES notation for 2-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-6-yl)acetic acid?
The canonical SMILES for 2-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-6-yl)acetic acid is Cc1nn(C)c2c1CCC(CC(=O)O)C2.
What is the InChIKey of 2-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-6-yl)acetic acid?
The InChIKey is DTWVRGNTLDJTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-9-4-3-8(6-11(14)15)5-10(9)13(2)12-7/h8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-6-yl)acetic acid?
2-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-6-yl)acetic acid has a molecular weight of 208.26 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-6-yl)acetic acid is sourced from PubChem (CID 82395373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).