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

C10H14N2O3 — CID 83863572

IUPAC2-(4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetic acid
SMILESCn1nc(CC(=O)O)c2c1CCCC2O
InChIInChI=1S/C10H14N2O3/c1-12-7-3-2-4-8(13)10(7)6(11-12)5-9(14)15/h8,13H,2-5H2,1H3,(H,14,15)
InChIKeyIOESVAVLWILETO-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.42
Rot. Bonds2

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

2-(4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetic acid (PubChem CID 83863572) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetic acid
PubChem CID83863572
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetic acid
SMILESCn1nc(CC(=O)O)c2c1CCCC2O
InChIInChI=1S/C10H14N2O3/c1-12-7-3-2-4-8(13)10(7)6(11-12)5-9(14)15/h8,13H,2-5H2,1H3,(H,14,15)
InChIKeyIOESVAVLWILETO-UHFFFAOYSA-N
XLogP0.42
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2H-Indazole-3-acetic acid, 4,5,6,7-tetrahydro-2-methyl-
CID 210809
2-(Diethylamino)ethyl 2-hydroxy-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetate
CID 214740
2-fluoro-2-(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)acetic acid
CID 165493430
2,2-difluoro-2-(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)acetic acid
CID 165717812
5-(2-Hydroxypropyl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 12826131
3-(2-Hydroxypropyl)-1,5-dimethylpyrazole-4-carboxylic acid
CID 12826138
1,3-Dimethyl-4,5,6,7-tetrahydroindazol-4-ol
CID 66489378
2-(2-Methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid
CID 83862716
2-(4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetic acid
CID 83863531
4-Hydroxy-1-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 83863564
4-hydroxy-1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 83863570
2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 83863576

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetic acid (CID 83863572) is 2-(4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetic acid is Cn1nc(CC(=O)O)c2c1CCCC2O.
What is the InChIKey of 2-(4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetic acid?
The InChIKey is IOESVAVLWILETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-12-7-3-2-4-8(13)10(7)6(11-12)5-9(14)15/h8,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-(4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetic acid?
2-(4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetic acid is sourced from PubChem (CID 83863572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).