5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

C9H12N2O2 — CID 655114

IUPAC5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESCC1CCc2[nH]nc(C(=O)O)c2C1
InChIInChI=1S/C9H12N2O2/c1-5-2-3-7-6(4-5)8(9(12)13)11-10-7/h5H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyTYDZWBIBMZLMSH-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.23
Rot. Bonds1

About 5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (PubChem CID 655114) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
PubChem CID655114
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESCC1CCc2[nH]nc(C(=O)O)c2C1
InChIInChI=1S/C9H12N2O2/c1-5-2-3-7-6(4-5)8(9(12)13)11-10-7/h5H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyTYDZWBIBMZLMSH-UHFFFAOYSA-N
XLogP1.23
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The IUPAC name of 5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (CID 655114) is 5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is CC1CCc2[nH]nc(C(=O)O)c2C1.
What is the InChIKey of 5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The InChIKey is TYDZWBIBMZLMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-2-3-7-6(4-5)8(9(12)13)11-10-7/h5H,2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 655114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).