1,3-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid

C10H14N2O2 — CID 83861914

IUPAC1,3-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCc1nn(C)c2c1C(C(=O)O)CCC2
InChIInChI=1S/C10H14N2O2/c1-6-9-7(10(13)14)4-3-5-8(9)12(2)11-6/h7H,3-5H2,1-2H3,(H,13,14)
InChIKeyXFLOUWYFOVQXIY-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.23
Rot. Bonds1

About 1,3-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid

1,3-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid (PubChem CID 83861914) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1,3-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid
PubChem CID83861914
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1,3-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCc1nn(C)c2c1C(C(=O)O)CCC2
InChIInChI=1S/C10H14N2O2/c1-6-9-7(10(13)14)4-3-5-8(9)12(2)11-6/h7H,3-5H2,1-2H3,(H,13,14)
InChIKeyXFLOUWYFOVQXIY-UHFFFAOYSA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 850411
2H-Indazole-3-acetic acid, 4,5,6,7-tetrahydro-2-methyl-
CID 210809
1-Methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 24271319
1-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 77230337
1-methyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 82409133
2-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
CID 83906436
2-ethyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 6498680
2-(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)acetic acid
CID 50987849
1-ethyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 84720322
1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid hydrochloride
CID 121552990
2-Methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]butanoic acid
CID 66874735
1,4,4-tris(fluoromethyl)-6,7-dihydro-5H-indazole-3-carboxylic acid
CID 175942744

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The IUPAC name of 1,3-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid (CID 83861914) is 1,3-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid is Cc1nn(C)c2c1C(C(=O)O)CCC2.
What is the InChIKey of 1,3-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
The InChIKey is XFLOUWYFOVQXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-9-7(10(13)14)4-3-5-8(9)12(2)11-6/h7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 1,3-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid?
1,3-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4,5,6,7-tetrahydroindazole-4-carboxylic acid is sourced from PubChem (CID 83861914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).