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

C9H12N2O2 — CID 83906436

IUPAC2-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCn1cc2c(n1)CCCC2C(=O)O
InChIInChI=1S/C9H12N2O2/c1-11-5-7-6(9(12)13)3-2-4-8(7)10-11/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyYAWPIGWXURCZPH-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.92
Rot. Bonds1

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

2-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid (PubChem CID 83906436) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid
PubChem CID83906436
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCn1cc2c(n1)CCCC2C(=O)O
InChIInChI=1S/C9H12N2O2/c1-11-5-7-6(9(12)13)3-2-4-8(7)10-11/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyYAWPIGWXURCZPH-UHFFFAOYSA-N
XLogP0.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid (CID 83906436) is 2-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid is Cn1cc2c(n1)CCCC2C(=O)O.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The InChIKey is YAWPIGWXURCZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11-5-7-6(9(12)13)3-2-4-8(7)10-11/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
2-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid is sourced from PubChem (CID 83906436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).