6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid

C12H15F3N2O2 — CID 67440817

IUPAC6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid
SMILESCC1(C)CCc2c(C(=O)O)nn(CC(F)(F)F)c2C1
InChIInChI=1S/C12H15F3N2O2/c1-11(2)4-3-7-8(5-11)17(6-12(13,14)15)16-9(7)10(18)19/h3-6H2,1-2H3,(H,18,19)
InChIKeyHOMBLLDMDMOURH-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.66
Rot. Bonds2

About 6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid

6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid (PubChem CID 67440817) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid
PubChem CID67440817
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid
SMILESCC1(C)CCc2c(C(=O)O)nn(CC(F)(F)F)c2C1
InChIInChI=1S/C12H15F3N2O2/c1-11(2)4-3-7-8(5-11)17(6-12(13,14)15)16-9(7)10(18)19/h3-6H2,1-2H3,(H,18,19)
InChIKeyHOMBLLDMDMOURH-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-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

Related Compounds

2-Methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 850411
1-Methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 24271319
1H-Pyrazolo(4,3-c)pyridine-3-carboxylic acid, 1-ethyl-4,5,6,7-tetrahydro-
CID 51072296
5-Methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 69238120
2-ethyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 6498680
1-Methyl-5-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 51072211
3-methyl-4H,5H,6H,7H-pyrazolo(1,5-a)pyridine-2-carboxylic acid
CID 84110140
2-tert-butyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 105479371
1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid hydrochloride
CID 121552990
5-(4,4-difluoropiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 56713709
(5S)-5-[2-(dimethylamino)ethyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95202728
ethyl 7-oxo-1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-indazole-3-carboxylate
CID 45140574

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid?
The IUPAC name of 6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid (CID 67440817) is 6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid.
What is the SMILES notation for 6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid?
The canonical SMILES for 6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid is CC1(C)CCc2c(C(=O)O)nn(CC(F)(F)F)c2C1.
What is the InChIKey of 6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid?
The InChIKey is HOMBLLDMDMOURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-11(2)4-3-7-8(5-11)17(6-12(13,14)15)16-9(7)10(18)19/h3-6H2,1-2H3,(H,18,19).
What are the key properties of 6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid?
6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid has a molecular weight of 276.26 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid is sourced from PubChem (CID 67440817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).