1,4,6-trimethyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid

C11H14N2O3 — CID 141106328

IUPAC1,4,6-trimethyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid
SMILESCC1CC(C)c2c(C(=O)O)nn(C)c2C1=O
InChIInChI=1S/C11H14N2O3/c1-5-4-6(2)10(14)9-7(5)8(11(15)16)12-13(9)3/h5-6H,4H2,1-3H3,(H,15,16)
InChIKeyOJVFMCAPEFVCDX-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.44
Rot. Bonds1

About 1,4,6-trimethyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid

1,4,6-trimethyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid (PubChem CID 141106328) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1,4,6-trimethyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name1,4,6-trimethyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid
PubChem CID141106328
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1,4,6-trimethyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid
SMILESCC1CC(C)c2c(C(=O)O)nn(C)c2C1=O
InChIInChI=1S/C11H14N2O3/c1-5-4-6(2)10(14)9-7(5)8(11(15)16)12-13(9)3/h5-6H,4H2,1-3H3,(H,15,16)
InChIKeyOJVFMCAPEFVCDX-UHFFFAOYSA-N
XLogP1.44
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,4,6-trimethyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid?
The IUPAC name of 1,4,6-trimethyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid (CID 141106328) is 1,4,6-trimethyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid.
What is the SMILES notation for 1,4,6-trimethyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid?
The canonical SMILES for 1,4,6-trimethyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid is CC1CC(C)c2c(C(=O)O)nn(C)c2C1=O.
What is the InChIKey of 1,4,6-trimethyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid?
The InChIKey is OJVFMCAPEFVCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-5-4-6(2)10(14)9-7(5)8(11(15)16)12-13(9)3/h5-6H,4H2,1-3H3,(H,15,16).
What are the key properties of 1,4,6-trimethyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid?
1,4,6-trimethyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid is sourced from PubChem (CID 141106328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).