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

C9H12N2O3 — CID 112715478

IUPAC7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid
SMILESCC1CCc2cn[nH]c2C1(O)C(=O)O
InChIInChI=1S/C9H12N2O3/c1-5-2-3-6-4-10-11-7(6)9(5,14)8(12)13/h4-5,14H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyLUHHUTXFWTZVBD-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.26
Rot. Bonds1

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

7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid (PubChem CID 112715478) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid
PubChem CID112715478
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid
SMILESCC1CCc2cn[nH]c2C1(O)C(=O)O
InChIInChI=1S/C9H12N2O3/c1-5-2-3-6-4-10-11-7(6)9(5,14)8(12)13/h4-5,14H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyLUHHUTXFWTZVBD-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

7-Hydroxy-1,4,5,6-tetrahydroindazole-7-carboxylic acid
CID 82407998
4-Hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83906645
2-(7-Hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid
CID 83907954
6-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
CID 112714670
7-(Aminomethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol
CID 112714735
6,6-Dimethyl-1,4,5,7-tetrahydroindazole-7-carboxylic acid
CID 112715288
7-Amino-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid
CID 112715357
7-(2-Aminoethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol
CID 112715402
4-Hydroxy-5-methyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 112715480
7-hydroxyspiro[4,5-dihydro-1H-indazole-6,1'-cyclopropane]-7-carboxylic acid
CID 112716180
4-hydroxyspiro[6,7-dihydro-1H-indazole-5,1'-cyclopropane]-4-carboxylic acid
CID 112716181
2-(7-Hydroxy-6-methyl-1,4,5,6-tetrahydroindazol-7-yl)acetic acid
CID 112716464

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid?
The IUPAC name of 7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid (CID 112715478) is 7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid.
What is the SMILES notation for 7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid?
The canonical SMILES for 7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid is CC1CCc2cn[nH]c2C1(O)C(=O)O.
What is the InChIKey of 7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid?
The InChIKey is LUHHUTXFWTZVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-2-3-6-4-10-11-7(6)9(5,14)8(12)13/h4-5,14H,2-3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid?
7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazole-7-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 7-hydroxy-6-methyl-1,4,5,6-tetrahydroindazole-7-carboxylic acid is sourced from PubChem (CID 112715478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).