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

C10H14N2O3 — CID 112716464

IUPAC2-(7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazol-7-yl)acetic acid
SMILESCC1CCc2cn[nH]c2C1(O)CC(=O)O
InChIInChI=1S/C10H14N2O3/c1-6-2-3-7-5-11-12-9(7)10(6,15)4-8(13)14/h5-6,15H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyNYYKVQHQUYISHY-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.65
Rot. Bonds2

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

2-(7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazol-7-yl)acetic acid (PubChem CID 112716464) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazol-7-yl)acetic acid.

Molecular Properties

Compound Name2-(7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazol-7-yl)acetic acid
PubChem CID112716464
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazol-7-yl)acetic acid
SMILESCC1CCc2cn[nH]c2C1(O)CC(=O)O
InChIInChI=1S/C10H14N2O3/c1-6-2-3-7-5-11-12-9(7)10(6,15)4-8(13)14/h5-6,15H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyNYYKVQHQUYISHY-UHFFFAOYSA-N
XLogP0.65
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazol-7-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

6-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 141722726
Spiro[1,4,5,6-tetrahydroindazole-7,1'-cyclopropane]-6-carboxylic acid
CID 82402806
7-Hydroxy-1,4,5,6-tetrahydroindazole-7-carboxylic acid
CID 82407998
6,6-Dimethyl-1,4,5,7-tetrahydroindazole-4-carboxylic acid
CID 83862101
2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanoic acid
CID 83907719
2-(7-Hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid
CID 83907954
2-(4-Hydroxy-1,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 83907956
2-(7-hydroxy-1-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid
CID 83909526
2-(7-hydroxy-2-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid
CID 83909527
5-Methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 112714672
7-(Aminomethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol
CID 112714735
7-(aminomethyl)spiro[4,5-dihydro-1H-indazole-6,1'-cyclopropane]-7-ol
CID 112715118

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazol-7-yl)acetic acid?
The IUPAC name of 2-(7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazol-7-yl)acetic acid (CID 112716464) is 2-(7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazol-7-yl)acetic acid.
What is the SMILES notation for 2-(7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazol-7-yl)acetic acid?
The canonical SMILES for 2-(7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazol-7-yl)acetic acid is CC1CCc2cn[nH]c2C1(O)CC(=O)O.
What is the InChIKey of 2-(7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazol-7-yl)acetic acid?
The InChIKey is NYYKVQHQUYISHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-2-3-7-5-11-12-9(7)10(6,15)4-8(13)14/h5-6,15H,2-4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazol-7-yl)acetic acid?
2-(7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazol-7-yl)acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazol-7-yl)acetic acid is sourced from PubChem (CID 112716464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).