4-hydroxy-5-methyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid

C9H12N2O3 — CID 112715480

IUPAC4-hydroxy-5-methyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCC1CCc2[nH]ncc2C1(O)C(=O)O
InChIInChI=1S/C9H12N2O3/c1-5-2-3-7-6(4-10-11-7)9(5,14)8(12)13/h4-5,14H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyUYTLJQPSQAUPJH-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.26
Rot. Bonds1

About 4-hydroxy-5-methyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid

4-hydroxy-5-methyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid (PubChem CID 112715480) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-5-methyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid
PubChem CID112715480
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-hydroxy-5-methyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCC1CCc2[nH]ncc2C1(O)C(=O)O
InChIInChI=1S/C9H12N2O3/c1-5-2-3-7-6(4-10-11-7)9(5,14)8(12)13/h4-5,14H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyUYTLJQPSQAUPJH-UHFFFAOYSA-N
XLogP0.26
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 71695302
6-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 141722726
Spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopropane]-4-carboxylic acid
CID 82402824
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
4-Hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83906645
2-(4-Hydroxy-1,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 83907956
4-Hydroxy-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83907960
4-hydroxy-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid
CID 83907963
4-hydroxy-2-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid
CID 83907964
3-Ethyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83909534
3-Cyclopropyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83910741

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The IUPAC name of 4-hydroxy-5-methyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid (CID 112715480) is 4-hydroxy-5-methyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-5-methyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-5-methyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid is CC1CCc2[nH]ncc2C1(O)C(=O)O.
What is the InChIKey of 4-hydroxy-5-methyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The InChIKey is UYTLJQPSQAUPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-2-3-7-6(4-10-11-7)9(5,14)8(12)13/h4-5,14H,2-3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-hydroxy-5-methyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
4-hydroxy-5-methyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.26, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid is sourced from PubChem (CID 112715480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).