4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid

C9H12N2O3 — CID 83907960

IUPAC4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCc1[nH]nc2c1C(O)(C(=O)O)CCC2
InChIInChI=1S/C9H12N2O3/c1-5-7-6(11-10-5)3-2-4-9(7,14)8(12)13/h14H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyOOUKVPUCVGXCTP-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.33
Rot. Bonds1

About 4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid

4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid (PubChem CID 83907960) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid
PubChem CID83907960
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCc1[nH]nc2c1C(O)(C(=O)O)CCC2
InChIInChI=1S/C9H12N2O3/c1-5-7-6(11-10-5)3-2-4-9(7,14)8(12)13/h14H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyOOUKVPUCVGXCTP-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid hydrochloride
CID 177800146
3-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
CID 73357528
3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 73357530
4-(carboxymethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 82591700
3-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 83861923
2-(4-hydroxy-4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 83863576
4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83906644
4-Hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83906645
4-Amino-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83907787
4-Amino-3-ethyl-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83909322
2-(4-Hydroxy-3-methyl-2,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 83909528
4-hydroxy-2,3-dimethyl-6,7-dihydro-5H-indazole-4-carboxylic acid
CID 83909533

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid?
The IUPAC name of 4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid (CID 83907960) is 4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid is Cc1[nH]nc2c1C(O)(C(=O)O)CCC2.
What is the InChIKey of 4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid?
The InChIKey is OOUKVPUCVGXCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-7-6(11-10-5)3-2-4-9(7,14)8(12)13/h14H,2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid?
4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.33, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid is sourced from PubChem (CID 83907960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).