4-hydroxy-1-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C11H16N2O3 — CID 83863564

IUPAC4-hydroxy-1-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCC(C)n1nc(C(=O)O)c2c1CCCC2O
InChIInChI=1S/C11H16N2O3/c1-6(2)13-7-4-3-5-8(14)9(7)10(12-13)11(15)16/h6,8,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyGXUQVCGUCLSLMT-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.53
Rot. Bonds2

About 4-hydroxy-1-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

4-hydroxy-1-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 83863564) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-hydroxy-1-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID83863564
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-hydroxy-1-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCC(C)n1nc(C(=O)O)c2c1CCCC2O
InChIInChI=1S/C11H16N2O3/c1-6(2)13-7-4-3-5-8(14)9(7)10(12-13)11(15)16/h6,8,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyGXUQVCGUCLSLMT-UHFFFAOYSA-N
XLogP1.53
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 850411
1-Methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 24271319
1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxylic acid
CID 82601243
2-ethyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 6498680
1-Methyl-5-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 51072211
2-methyl-2H,4H,6H,7H-pyrano(4,3-c)pyrazole-3-carboxylic acid
CID 83680022
3-methyl-4H,5H,6H,7H-pyrazolo(1,5-a)pyridine-2-carboxylic acid
CID 84110140
2-tert-butyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 105479371
1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid hydrochloride
CID 121552990
ethyl 4-hydroxy-1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CID 131606701
5-(4,4-difluoropiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 56713709
(5S)-5-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95197439

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 83863564) is 4-hydroxy-1-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is CC(C)n1nc(C(=O)O)c2c1CCCC2O.
What is the InChIKey of 4-hydroxy-1-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is GXUQVCGUCLSLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6(2)13-7-4-3-5-8(14)9(7)10(12-13)11(15)16/h6,8,14H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 4-hydroxy-1-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
4-hydroxy-1-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 83863564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).