4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C9H12N2O3 — CID 83863570

IUPAC4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2c1CCCC2O
InChIInChI=1S/C9H12N2O3/c1-11-5-3-2-4-6(12)7(5)8(10-11)9(13)14/h6,12H,2-4H2,1H3,(H,13,14)
InChIKeyREZYXUAQUGSASK-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.49
Rot. Bonds1

About 4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 83863570) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID83863570
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2c1CCCC2O
InChIInChI=1S/C9H12N2O3/c1-11-5-3-2-4-6(12)7(5)8(10-11)9(13)14/h6,12H,2-4H2,1H3,(H,13,14)
InChIKeyREZYXUAQUGSASK-UHFFFAOYSA-N
XLogP0.49
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 83863570) is 4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is Cn1nc(C(=O)O)c2c1CCCC2O.
What is the InChIKey of 4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is REZYXUAQUGSASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-11-5-3-2-4-6(12)7(5)8(10-11)9(13)14/h6,12H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 83863570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).