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

C10H14N2O2 — CID 64734784

IUPAC4,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESCC1Cc2[nH]nc(C(=O)O)c2C(C)C1
InChIInChI=1S/C10H14N2O2/c1-5-3-6(2)8-7(4-5)11-12-9(8)10(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeySTROEEUVUKDASQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.79
Rot. Bonds1

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

4,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (PubChem CID 64734784) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
PubChem CID64734784
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESCC1Cc2[nH]nc(C(=O)O)c2C(C)C1
InChIInChI=1S/C10H14N2O2/c1-5-3-6(2)8-7(4-5)11-12-9(8)10(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeySTROEEUVUKDASQ-UHFFFAOYSA-N
XLogP1.79
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,6-dimethyl-4,5,6,7-tetrahydro-1H-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 4,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (CID 64734784) is 4,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is CC1Cc2[nH]nc(C(=O)O)c2C(C)C1.
What is the InChIKey of 4,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The InChIKey is STROEEUVUKDASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-5-3-6(2)8-7(4-5)11-12-9(8)10(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 4,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
4,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 64734784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).